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• 1,3-Propanedithiol
IUPAC Name: propane-1,3-dithiol | CAS Registry Number: 109-80-8
Synonyms: Trimethylenedithiol, Dithiotrimethyleneglycol, Trimethylene dimercaptan, Dithiol deriv., Propane-1,3-dithiol, Trimethylenedithioglycol, 1,3-Propanedimercaptan, 1,3-DIMERCAPTOPROPANE, FEMA No. 3588, P50609_ALDRICH, W358800_ALDRICH, NDR-132, CHEBI:44864, EINECS 203-706-9, CID8013, AIDS081871, AIDS-081871, BRN 1071197, ZINC03860693, LS-120787

Molecular Formula: C3H8S2Molecular Weight: 108.225620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ZJLMKPKYJBQJNH-UHFFFAOYSA-N

• 1,2,4,5-Tetrachlorobenzene
IUPAC Name: 1,2,4,5-tetrachlorobenzene | CAS Registry Number: 95-94-3
Synonyms: s-Tetrachlorobenzene, Benzene tetrachloride, Tetrachlorobenzene, 1,2,4,5-TETRACHLOROBENZENE, Benzene, tetrachloro-, Benzene, 1,2,4,5-tetrachloro-, RCRA waste no. U207, RCRA waste number U207, TETRACHLOROBENZENES, Maybridge1_002304, CCRIS 766, WLN: GR BG DG EG, 1,2,4,5-Tetrachlorbenzol, HSDB 2733, MLS001055490, DivK1c_001056, CID7270, 131857_ALDRICH, 34379_RIEDEL, 442219_SUPELCO

Molecular Formula: C6H2Cl4Molecular Weight: 215.892080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: JHBKHLUZVFWLAG-UHFFFAOYSA-N

• 1,1,2,2-Tetrachloroethane
IUPAC Name: 1,1,2,2-tetrachloroethane | CAS Registry Number: 79-34-5
Synonyms: s-Tetrachloroethane, Bonoform, Cellon, Tetrachlorethane, Tetrachloroethane, Acetosal, Westron, Acetylene tetrachloride, Acetosol, TCE (ambiguous), sym-Tetrachloroethane, Caswell No. 826, 1,1,2,2-TETRACHLOROETHANE, Ethane, 1,1,2,2-tetrachloro-, Tetrachloroethane (VAN), RCRA waste no. U209, WLN: GYGYGG, RCRA waste number U209, Tetrachlorure d'acetylene, 1,1,2,2-Tetrachloraethan

Molecular Formula: C2H2Cl4Molecular Weight: 167.849280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QPFMBZIOSGYJDE-UHFFFAOYSA-N

• 1,2,4,5-Tetrakis(bromomethyl)benzene
IUPAC Name: 1,2,4,5-tetrakis(bromomethyl)benzene | CAS Registry Number: 15442-91-8
Synonyms: 236616_ALDRICH, NSC141461, 1,2,4,5-Tetra(bromomethyl)benzene, CID284971, Benzene, 1,2,4,5-tetrakis(bromomethyl)-, ST5409361, alpha,alpha',alpha'',alpha'''-Tetrabromodurene

Molecular Formula: C10H10Br4Molecular Weight: 449.802400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UTXIKCCNBUIWPT-UHFFFAOYSA-N

• 1,1,3,3-Tetramethyl-2-Thiourea
IUPAC Name: 1,1,3,3-tetramethylthiourea | CAS Registry Number: 2782-91-4
Synonyms: Basthioryl, Thiourea, tetramethyl-, TETRAMETHYLTHIOUREA, TMTU, Tetramethyl-2-thiourea, N,N,N',N'-Tetramethylthiourea, Urea, thio-, tetramethyl-, 1,1,3,3-Tetramethylthiourea, CCRIS 4871, Urea, 1,1,3,3-tetramethyl-2-thio-, 1,1,3,3-Tetramethyl-2-thiourea, HSDB 6777, NA-101, 115169_ALDRICH, EINECS 220-488-0, NSC 102499, CID17725, BRN 1744916, thiourea, N,N,N',N'-tetramethyl-, NSC102499

Molecular Formula: C5H12N2SMolecular Weight: 132.227180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MNOILHPDHOHILI-UHFFFAOYSA-N

• 2,2',4'-Trichloroacetophenone
IUPAC Name: 2-chloro-1-(2,4-dichlorophenyl)ethanone | CAS Registry Number: 4252-78-2
Synonyms: CCRIS 633, 2,4-Dichlorophenacyl chloride, 159255_ALDRICH, omega,2,4-Trichloroacetophenone, EINECS 224-218-2, Acetophenone, 2,2',4'-trichloro-, LS-114, ZINC00155415, 2,2',4'-TRICHLORACETOPHENONE, NCGC00091258-01, 2-Chloro-1-(2,4-dichlorophenyl)ethanone, Ethanone, 2-chloro-1-(2,4-dichlorophenyl)-

Molecular Formula: C8H5Cl3OMolecular Weight: 223.483700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VYWPPRLJNVHPEU-UHFFFAOYSA-N

• 2,3,5-Trichlorobenzaldehyde
IUPAC Name: 2,3,5-trichlorobenzaldehyde | CAS Registry Number: 56961-75-2
Synonyms: Benzaldehyde, 2,3,5-trichloro-, 292338_ALDRICH, SBB003454, ZINC02539407

Molecular Formula: C7H3Cl3OMolecular Weight: 209.457120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DJYRZTCLVDKWBL-UHFFFAOYSA-N

• 2,2,2-Trichloroethyl Chloroformate
IUPAC Name: 2,2,2-trichloroethyl carbonochloridate | CAS Registry Number: 17341-93-4
Synonyms: Trichloroethyl chloroformate, 2,2,2-Trichloroethyl chloroformate, 142077_ALDRICH, 2,2,2-Trichloroethoxycarbonyl chloride, 23258_FLUKA, CID87063, EINECS 241-363-7, NSC152038, ZINC01555770, Carbonochloridic acid, 2,2,2-trichloroethyl ester, NSC 152038, Formic acid, chloro-, 2,2,2-trichloroethyl ester, Formic acid, chloro-, 2,2,2-trichloroethyl ester (8CI)

Molecular Formula: C3H2Cl4O2Molecular Weight: 211.858780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LJCZNYWLQZZIOS-UHFFFAOYSA-N

• 2,4,5-Trichlorophenol
IUPAC Name: 2,4,5-trichlorophenol | CAS Registry Number: 95-95-4
Synonyms: Dowicide 2, Collunosol, Nurelle, Preventol I, 2,4,5-TRICHLOROPHENOL, Phenol, 2,4,5-trichloro-, PS9_SUPELCO, RCRA waste no. U230, RCRA waste number U230, CCRIS 718, WLN: QR BG CG EG, HSDB 4067, 2,4,5-TCP, 156515_ALDRICH, 36513_RIEDEL, 442301_SUPELCO, NCI-C61187, NSC 2266, 91332_FLUKA, CHEBI:28520

Molecular Formula: C6H3Cl3OMolecular Weight: 197.446420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LHJGJYXLEPZJPM-UHFFFAOYSA-N

• 2,3,5-Trimethylphenol
IUPAC Name: 2,3,5-trimethylphenol | CAS Registry Number: 697-82-5
Synonyms: Isopseudocumenol, Trimethylphenol, 2,3,5-TRIMETHYLPHENOL, Phenol, 2,3,5-trimethyl-, Ambap7241, 6-HYDROXYPSEUDOCUMENE, 1-Hydroxy-2,3,5-trimethylbenzene, T78603_ALDRICH, 34308_RIEDEL, 92690_FLUKA, CHEBI:38570, NSC5296, NSC 5296, EINECS 211-806-9, ZINC01235982, Phenol, 2,3,5(or 3,4,5)-trimethyl-, TL8004904, B10001, InChI=1/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H, 70969-66-3

Molecular Formula: C9H12OMolecular Weight: 136.190980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: OGRAOKJKVGDSFR-UHFFFAOYSA-N

• 10-Undecynoic Acid
IUPAC Name: undec-10-ynoic acid | CAS Registry Number: 2777-65-3
Synonyms: 10-Undecynoic acid, Hendecynoic acid, Undec-10-ynoic acid, 10-HENDECYNOIC ACID, 406546_ALDRICH, EINECS 220-471-8, C11H18O2, CID31039, BRN 1704918, LMFA01030618, SBB008483, FR-2153, LS-158495, 4-02-00-01738 (Beilstein Handbook Reference), 22202-65-9

Molecular Formula: C11H18O2Molecular Weight: 182.259420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OAOUTNMJEFWJPO-UHFFFAOYSA-N

• 2,4-Xylenol
IUPAC Name: 2,4-dimethylphenol | CAS Registry Number: 105-67-9
Synonyms: 2,4-DIMETHYLPHENOL, m-Xylenol, Bacticin, Gallex, Phenol, 2,4-dimethyl-, 4,6-Dimethylphenol, asym.-m-Xylenol, 4-Hydroxy-m-xylene, Caswell No. 907A, Lysol Brand disinfectant, 2,4-Dimethyl phenol, Ambap4384, 1-Hydroxy-2,4-dimethylbenzene, RCRA waste no. U101, RCRA waste number U101, 4-Hydroxy-1,3-dimethylbenzene, Bulk Lysol Brand Disinfectant, CCRIS 721, HSDB 4253, MLS002152861

Molecular Formula: C8H10OMolecular Weight: 122.164400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KUFFULVDNCHOFZ-UHFFFAOYSA-N

• 1,16-Hexadecalactone
IUPAC Name: 17-oxacycloheptadecan-1-one | CAS Registry Number: 109-29-5
Synonyms: Hexadecanolide, Cyclohexadecanolide, Dihydroambrettolide, 16-Hexadecanolactone, Juniperic acid lactone, 1,16-Hexadecanolide, 16-Hexadecanolide, 1,16-Hexadecanolactone, OXACYCLOHEPTADECAN-2-ONE, Ambap7738, H0893_SIGMA, JUNIPERIC ACID, LACTONE, 540757_ALDRICH, 16-Hydroxyhexadecanoic acid lactone, NSC33546, EINECS 203-662-0, NSC 33546, BRN 0148631, AI3-37208, LS-98807

Molecular Formula: C16H30O2Molecular Weight: 254.408200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LOKPJYNMYCVCRM-UHFFFAOYSA-N

• 2,3,5,6 Tetramethyl Pyrazine
IUPAC Name: 2,3,5,6-tetramethylpyrazine | CAS Registry Number: 1124-11-4
Synonyms: Bs factor, Ligustrazine, Chuanxiongzine, Tetrapyrazine, Tetramethylpyrazin, Ligustizine, Liqustrazine, Pyrazine, tetramethyl-, TETRAMETHYLPYRAZINE, 2,3,5,6-Tetramethylpyrazine, TMPZ, tetramethyl pyrazine, 2,3,5,6-Tetramethyl pyrazine, FEMA No. 3237, MLS000069594, W323705_ALDRICH, W323713_ALDRICH, 183938_ALDRICH, tetramethylpyrazine hydrochloride, EINECS 214-391-2

Molecular Formula: C8H12N2Molecular Weight: 136.194280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FINHMKGKINIASC-UHFFFAOYSA-N

• 2,4,5-Trimethylthiazole
IUPAC Name: 2,4,5-trimethyl-1,3-thiazole | CAS Registry Number: 13623-11-5
Synonyms: Trimethylthiazole, Thiazole, trimethyl-, Thiazole, 2,4,5-trimethyl-, W332518_ALDRICH, FEMA No. 3325, 219185_ALDRICH, EINECS 237-107-9, NSC170614, ZINC00407028, NSC 170614, Thiazole, 2,4,5-trimethyl- (8CI)(9CI), InChI=1/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H

Molecular Formula: C6H9NSMolecular Weight: 127.207360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BAMPVSWRQZNDQC-UHFFFAOYSA-N

• 1,8-Diamino Naphthalene
IUPAC Name: naphthalene-1,8-diamine | CAS Registry Number: 479-27-6
Synonyms: 1,8-Naphthalenediamine, Naphthalene-1,8-diamine, 1,8-Diaminonaphthalene, 1,8-Naphthylenediamine, D21405_ALDRICH, NSC 6081, 33170_FLUKA, 33180_FLUKA, EINECS 207-529-8, NSC6081, ZINC00388487, 1,8-NAPHTHYLENEDIAMINE, TECH, AI3-03804, LS-167531, InChI=1/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,11-12H

Molecular Formula: C10H10N2Molecular Weight: 158.199800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YFOOEYJGMMJJLS-UHFFFAOYSA-N

• 1-Hydroxyadamantane
IUPAC Name: adamantan-1-ol | CAS Registry Number: 768-95-6
Synonyms: 1-Adamantanol, 1-Adamantol, Adamantan-1-ol, Ambap2129, 130346_ALDRICH, 54191_FLUKA, EINECS 212-202-8, NSC 91633, NSC 108837, Tricyclo(3.3.1.13,7)decan-1-ol, NSC91633, NSC108837, ZINC01297856, Tricyclo[3.3.1.1(3,7)]decan-1-ol, AI3-61285, SDCCGMLS-0066229.P001, Tricyclo[3.3.1.13,7]decan-1-ol, LS-15042, tricyclo[3.3.1.1~3,7~]decan-1-ol, ST5182315

Molecular Formula: C10H16OMolecular Weight: 152.233440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VLLNJDMHDJRNFK-UHFFFAOYSA-N

• 1,2-Naphthoquinone-4-Sulfonic Acid, Sodium Salt
IUPAC Name: sodium 3,4-dioxonaphthalene-1-sulfonate | CAS Registry Number: 521-24-4
Synonyms: Folin's reagent, N1766_SIGMA, 226017_ALDRICH, Sodium 1,2-naphthoquinone-4-sulfonate, EINECS 208-308-9, Sodium beta-naphthoquinone-4-sulfonate, Sodium 3,4-dioxonaphthalene-1-sulphonate, AI3-50008, beta-Naphthoquinone-4-sulfonate sodium salt, LS-94917, ST5411433, 1,2-Naphthoquinone-4-sulfonic acid sodium salt, 1,2-Naphthoquinone-4-sulfonic acid, sodium salt, Sodium 3,4-dihydro-3,4-dioxo-1-naphthalenesulfonate, 1-NAPHTHALENESULFONIC ACID, 3,4-DIHYDRO-3,4-DIOXO-, SODIUM SALT, 3,4-Dihydro-3,4-dioxo-1-naphthalenesulfonic acid sodium salt, 2066-93-5

Molecular Formula: C10H5NaO5SMolecular Weight: 260.198470 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: UBLXEEBHYISRFM-UHFFFAOYSA-M

• 1-Carbethoxymethylene-Triphenylphosphorane
IUPAC Name: ethyl 2-tri(phenyl)phosphoranylideneacetate | CAS Registry Number: 1099-45-2
Synonyms: C5106_ALDRICH, (Carbethoxymethylene)triphenylphosphorane, Ethyl (triphenylphosphoranylidene)acetate, 02595_FLUKA, Triphenylcarbethoxymethylenephosphorane, Carbethoxytriphenylphosphonium methylide, Carbethoxymethylidenetriphenylphosphorane, NSC72406, Carboethoxymethylidenetriphenylphosphorane, EINECS 214-151-7, Ethyl (triphenylphosphoranilidene)acetate, NSC 72406, NSC167159, Ethyl (triphenylphosphoranyliden)acetate, Acetic acid, (triphenylphosphoranylidene)-, ethyl ester, (Ethoxycarbonylmethylene)triphenylphosphorane, ST5406274, ((Ethoxycarbonyl)methylene)triphenylphosphorane, [(Ethoxycarbonyl)methylene]triphenylphosphorane, ((Ethoxycarbonyl)ethylidene)triphenylphosphorane

Molecular Formula: C22H21O2PMolecular Weight: 348.374701 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IIHPVYJPDKJYOU-UHFFFAOYSA-N

• (R)-1,2,4-butanetriol
IUPAC Name: (2R)-butane-1,2,4-triol | CAS Registry Number: 70005-88-8
Synonyms: (R)-(+)-1,2,4-Butanetriol, (r)-butane-1,2,4-triol, (R)-1,2,4-Butanetriol, (2R)-butane-1,2,4-triol, (R)-(+)-1,2,4-Triydroxybutane, R-(-)-1,2,4-Butanetriol, AC1ODVG3, 309710_ALDRICH, CTK2H7000, MolPort-000-861-456, (r)-(+)-1,2,4-trihydroxybutane, ANW-46474, OR4602, ZINC01690069, AKOS016015974, (2R)-(+)-1,2,4-Trihydroxybutane, AG-G-73179, AC-13918, AK-86138, KB-02701

Molecular Formula: C4H10O3Molecular Weight: 106.120400 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: ARXKVVRQIIOZGF-SCSAIBSYSA-N

• (S)-1,2,4-butanetriol
IUPAC Name: (2S)-butane-1,2,4-triol | CAS Registry Number: 42890-76-6
Synonyms: (S)-(-)-1,2,4-Butanetriol, (S)-Butane-1,2,4-triol, (2S)-butane-1,2,4-triol, (S)-1,2,4-Butanetriol, (S)-(-)-1,2,4-Trihydroxybutane, AC1LD1XW, 296678_ALDRICH, 19045_FLUKA, CTK8B4481, MolPort-000-861-457, (S)--(+)-1,2,4-Butanetriol, ANW-45240, OR5242, ZINC03860246, AKOS015901225, (2S)-(-)-1,2,4-Trihydroxybutane, AC-13895, AK-88488, KB-63577, U620

Molecular Formula: C4H10O3Molecular Weight: 106.120400 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: ARXKVVRQIIOZGF-BYPYZUCNSA-N

• 1,1'-Carbonyldi (1,2,4-triazole)
IUPAC Name: bis(1,2,4-triazol-1-yl)methanone | CAS Registry Number: 41864-22-6
Synonyms: 1,1'-Carbonyl-di-(1,2,4-triazole), 1,1'-Carbonyldi(1,2,4-triazole), 1,1'-CARBONYL-DI(1,2,4-TRIAZOLE), Bis-[1,2,4]triazol-1-yl-methanone, AG-F-48773, Bis(1,2,4-triazol-1-yl)methanone, SureCN83387, ACMC-209jm4, AC1NA03G, KSC490O6D, 21861_ALDRICH, 21861_FLUKA, CTK3J0761, MolPort-003-927-982, ANW-29690, WTI-10577, ZINC02584455, 1,1'-Carbonylbis(1,2,4-triazole), AKOS015909898, RP22683

Molecular Formula: C5H4N6OMolecular Weight: 164.124860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: YHNUDLCUIKMNSN-UHFFFAOYSA-N

• 1,3-CyclohexaneDione
IUPAC Name: cyclohexane-1,3-dione | CAS Registry Number: 504-02-9
Synonyms: Dihydroresorcinol, 1,3-Cyclohexanedione, Hydroresorcinol, 1,3-Cyclohexanone, Resorcinol, dihydro-, 1,3-Cyclohexandione, 1,3 Cyclohexanedione, CYCLOHEXANE-1,3-DIONE, 1,3-Benzenediol, dihydro-, WLN: L6V CVTJ, Benzil-related compound, 49, CYCLOHEXANE-13-DIONE, C101605_ALDRICH, 29059_FLUKA, CHEBI:17766, CID10434, NSC57477, EINECS 207-980-0, NSC 57477, SB 01019

Molecular Formula: C6H8O2Molecular Weight: 112.126520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HJSLFCCWAKVHIW-UHFFFAOYSA-N

• 1,4-Dimethylnaphthalene
IUPAC Name: 1,4-dimethylnaphthalene | CAS Registry Number: 571-58-4
Synonyms: 1,4-DIMETHYLNAPHTHALENE, 1,4-Dimethylnapthalene, Naphthalene, 1,4-dimethyl-, D170305_ALDRICH, 37883_RIEDEL, NSC61779, CHEBI:48609, EINECS 209-335-9, 1,4-DMN, NSC 61779, EPA Pesticide Chemical Code 055802, CID11304, Naphthalene, 1,4-dimethyl- (8CI), NCGC00163993-01, LS-94559, Naphthalene, 1,4-dimethyl- (8CI)(9CI), C031969, InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H

Molecular Formula: C12H12Molecular Weight: 156.223680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: APQSQLNWAIULLK-UHFFFAOYSA-N

• 1-(3-Chlorophenyl) Piperazine HCl
IUPAC Name: 1-(3-chlorophenyl)piperazine hydrochloride | CAS Registry Number: 65369-76-8
Synonyms: m-CPP, C10H13ClN2.HCl, MLS001332529, MLS001332530, MLS002153364, 1-(3-Chlorophenyl)piperazine hydrochloride, 125180_ALDRICH, EINECS 235-976-9, 1-(3-Chlorophenyl)piperazinium chloride, EINECS 257-333-1, EINECS 265-718-0, NSC134746, SBB003261, SMR000875230, 1-(3-Chlorophenyl)piperazine monohydrochloride, Piperazine, 1-(3-chlorophenyl)-, monohydrochloride, LS-111322, TL8004644, 1-(3-Chlorophenyl)piperazine dihydrochloride, 1-(M-CHLOROPHENYL)PIPERAZINE HYDROCHLORIDE

Molecular Formula: C10H14Cl2N2Molecular Weight: 233.137560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: MHXPYWFZULXYHT-UHFFFAOYSA-N

• 1-(4-Chlorophenyl) Piperazine 2HCl
IUPAC Name: 1-(4-chlorophenyl)piperazine hydrochloride | CAS Registry Number: 38869-46-4
Synonyms: NSC71659, EINECS 254-165-0, SBB003262, 1-(4-Chlorophenyl)piperazine dihydrochloride

Molecular Formula: C10H14Cl2N2Molecular Weight: 233.137560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZHGRQBSZTVJDHU-UHFFFAOYSA-N

• 1-(4-Methoxyphenyl) Piperazine 2HCl
IUPAC Name: 1-(4-methoxyphenyl)piperazine chloride | CAS Registry Number: 38869-47-5
Synonyms: EINECS 254-166-6, NSC71661, CID3084721, Piperazine, 1-(4-methoxyphenyl)-, dihydrochloride, 1-(4-Methoxyphenyl)piperazine-1,4-diylium dichloride

Molecular Formula: C11H16ClN2O-Molecular Weight: 227.710540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HFJDUYKRPHHPAX-UHFFFAOYSA-M

• 1-AdamantaneCarboxylic acid
IUPAC Name: adamantane-1-carboxylic acid | CAS Registry Number: 828-51-3
Synonyms: Adamantoic acid, 1-Carboxyadamantane, 1-Adamantanecarboxylic acid, Adamantanecarboxylic acid, Adamantane-1-carboxylic acid, Enamine_000586, Adamantane-2-carboxylic acid, Oprea1_849468, 106399_ALDRICH, 3-ADAMANTANECARBOXYLIC ACID, 01823_FLUKA, EINECS 212-584-6, NSC 94182, 1-Adamantanecarboxylic acid (8CI), CID13235, NSC94182, SBB015170, AI3-52431, LS-14967, Tricyclo(3.3.1.1'3,7)decane-1-carboxylic acid

Molecular Formula: C11H16O2Molecular Weight: 180.243540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JIMXXGFJRDUSRO-UHFFFAOYSA-N

• 1-Benzyl Indole-3-Carboxylic Acid
IUPAC Name: 1-(phenylmethyl)indole-3-carboxylic acid | CAS Registry Number: 27018-76-4
Synonyms: CBMicro_033327, 1-Benzylindole-3-carboxylic acid, Oprea1_193229, B8875_SIGMA, ZERO/008796, BRN 0404957, 1-Benzyl-1H-indole-3-carboxylic acid, INDOLE-3-CARBOXYLIC ACID, 1-BENZYL-, BAS 00297569, LS-82533, BIM-0033291.P001, B-1200, 5-22-03-00037 (Beilstein Handbook Reference)

Molecular Formula: C16H13NO2Molecular Weight: 251.279920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LVYDDRHDOKXFMW-UHFFFAOYSA-N

• 1-Bromo-2-Chloroethane
IUPAC Name: 1-bromo-2-chloroethane | CAS Registry Number: 107-04-0
Synonyms: Ethylene chlorobromide, s-Chlorobromoethane, 2-Bromoethyl chloride, 2-Chloroethyl bromide, 1-Chloro-2-bromoethane, 2-Bromo-1-chloroethane, sym-Chlorobromoethane, Ethane, 1-bromo-2-chloro-, 1-BROMO-2-CHLOROETHANE, beta-Chloroethyl bromide, 1,2-Bromochloroethane, 1,2-Chlorobromoethane, Caswell No. 436B, Ethylene bromochloride, .beta.-Chloroethyl bromide, CCRIS 816, WLN: G2E, HSDB 6121, 232750_ALDRICH, 16621_FLUKA

Molecular Formula: C2H4BrClMolecular Weight: 143.410160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: IBYHHJPAARCAIE-UHFFFAOYSA-N

• 1-Naphthyl isothiocyanate
IUPAC Name: 1-isothiocyanatonaphthalene | CAS Registry Number: 551-06-4
Synonyms: Kesscocide, ANIT, 1-Naphthylisothiocyanate, alpha-Naphthyl isothiocyanate, Naphthalene, 1-isothiocyanato-, 1-ISOTHIOCYANATONAPHTHALENE, alpha-Naphthysothiocyanate, Naphthalene, isothiocyanato-, Isothiocyanatonaphthalene, 1 Naphthylisothiocyanate, alpha-Naphthylisothiocyanate, alpha-naphylisothiocyanate, Isothiocyanic acid, 1-naphthyl ester, 1-Isothiocyanate-naphthalene, 1-Isothiocyanatenaphthalene, alpha Naphthylisothiocyanate, 1-Naftylisothiokyanat [Czech], WLN: L66J BNCS, .alpha.-Naphthysothiocyanate, CCRIS 4678

Molecular Formula: C11H7NSMolecular Weight: 185.244980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JBDOSUUXMYMWQH-UHFFFAOYSA-N

• 1-Phenyl-1-Propanol
IUPAC Name: 1-phenylpropan-1-ol | CAS Registry Number: 93-54-9
Synonyms: Phenylpropanol, Gallenperlen, Phenycholon, 1-Phenyl-1-propanol, Epatoxfen, Felitrope, Phenychol, Phenylchol, Bilergon, Carbicol, Phenicol, Choleda, Felicur, Fenicol, Livonal, Unichol, Ejibil, Fepar, Phenylcholon, 1-Phenylpropanol

Molecular Formula: C9H12OMolecular Weight: 136.190980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DYUQAZSOFZSPHD-UHFFFAOYSA-N

• 17a-HydroxyProgesterone
IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one | CAS Registry Number: 68-96-2
Synonyms: Prodix, Prodox, Gestageno gador, hydroxyprogesterone, Proluton, Setaderm, Oxiprogesteronum, 17-Hydroxyprogesterone, Gestageno, Idrossiprogesterone [DCIT], 17 Hydroxyprogesterone, 17ALPHA-HYDROXYPROGESTERONE, 17-alpha-Hydroxyprogesterone, 17alpha-Hydroxy-progesterone, HSDB 3343, Hydroxyprogesteronum [INN-Latin], Hidroxiprogesterona [INN-Spanish], 17 alpha Hydroxyprogesterone, 17 alpha-Hydroxyprogesterone, 17-Hydroxypregn-4-ene-3,20-dione

Molecular Formula: C21H30O3Molecular Weight: 330.461100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DBPWSSGDRRHUNT-CEGNMAFCSA-N

• 2'-Deoxy-5-FluoroUridine (FUDR)
IUPAC Name: 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | CAS Registry Number: 50-91-9
Synonyms: floxuridine, Floxuridin, Fluorodeoxyuridine, FdUrd, Deoxyfluorouridine, FUDR, 5-Fluorodeoxyuridine, 5 Fluorodeoxyuridine, 2'-Deoxy-5-fluorouridine, 5-FdUrd, Fluoruridine deoxyribose, 5-Fluoro-dUrd, 5FdU, FDUR, Floxuridinum [INN-Latin], 5-Fluoro-2'-deoxyuridine, Floxiridina [INN-Spanish], 5-Fluoro-2-desoxyuridine, Floxuridine [USAN:INN], 5-FUDR

Molecular Formula: C9H11FN2O5Molecular Weight: 246.192443 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: ODKNJVUHOIMIIZ-RRKCRQDMSA-N

• 2'-Deoxycytidine
IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one | CAS Registry Number: 951-77-9
Synonyms: deoxycytidine, 2'-deoxycytidine, dCYD, d-cytidine, Deoxyribose cytidine, Cytosine deoxyriboside, Desoxycytidin [German], CYTIDINE, 2'-DEOXY-, Cytosine, deoxyribonucleoside, 2'-dC, CHEBI:15698, EINECS 213-454-1, 1beta-2'-Deoxyribofuranosylcytosine, d-, AIDS000602, AIDS-000602, BRN 0087567, ZINC00008697, NCGC00142493-01, LS-59066, Cytidine, 2'-deoxy-, labeled with tritium

Molecular Formula: C9H13N3O4Molecular Weight: 227.217220 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: CKTSBUTUHBMZGZ-SHYZEUOFSA-N

• 2'-Deoxyguanosine
IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one | CAS Registry Number: 961-07-9
Synonyms: deoxyguanosine, Desoxyguanosine, 2'-deoxyguanosine, Guanine deoxyriboside, 2a8g, Guanine deoxy nucleoside, 2'-DEOXY-GUANOSINE, nchembio.2007.39-comp3, CHEBI:17172, AIDS000988, AIDS-000988, NSC22837, NSC 22837, SBB003059, ZINC00404256, NCGC00161975-01, ST066876, Guanosine, 2'-deoxy- (6CI,8CI,9CI), 9-(2-Deoxy-b-D-erythro-pentofuranosyl)guanine, C00330

Molecular Formula: C10H13N5O4Molecular Weight: 267.241320 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: YKBGVTZYEHREMT-KVQBGUIXSA-N

• 2'-Deoxyuridine
IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | CAS Registry Number: 951-78-0
Synonyms: deoxyuridine, 2'-DEOXYURIDINE, 2-Deoxyuridine, Uracil deoxyriboside, Deoxyribose uracil, 2'-Desoxyuridine, dURD, Uridine, 2'-deoxy-, CCRIS 2832, MLS001066344, D5412_SIGMA, C9H12N2O5, EINECS 213-455-7, NSC 23615, AIDS113822, AIDS-113822, NSC23615, BRN 0024433, ZINC00155696, 1-(2-Deoxy-beta-D-ribofuranosyl)uracil

Molecular Formula: C9H12N2O5Molecular Weight: 228.201980 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: MXHRCPNRJAMMIM-SHYZEUOFSA-N

• 2,3-Diaminonaphthalene
IUPAC Name: naphthalene-2,3-diamine | CAS Registry Number: 771-97-1
Synonyms: 2,3-Naphthalenediamine, 2,3-Naphthylenediamine, D2757_SIAL, 88461_FLUKA, EINECS 212-241-0, NSC 62692, NSC62692, SBB000127, ZINC00134238, LS-170545, C026373, InChI=1/C10H10N2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H,11-12H, DAN

Molecular Formula: C10H10N2Molecular Weight: 158.199800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XTBLDMQMUSHDEN-UHFFFAOYSA-N

• 2,3-Diethyl Pyrazine
IUPAC Name: 2,3-diethylpyrazine | CAS Registry Number: 15707-24-1
Synonyms: 2,3-DIETHYLPYRAZINE, Pyrazine, 2,3-diethyl-, FEMA No. 3136, W313602_ALDRICH, 292982_ALDRICH, EINECS 239-800-1, ZINC00409293, LS-179035, 38028-68-1

Molecular Formula: C8H12N2Molecular Weight: 136.194280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GZXXANJCCWGCSV-UHFFFAOYSA-N

• 2,3-Diethyl-5-Methyl Pyrazine
IUPAC Name: 2,3-diethyl-5-methylpyrazine | CAS Registry Number: 18138-04-0
Synonyms: 2-Methyl-5,6-diethylpyrazine, 2,3-DIETHYL-5-METHYLPYRAZINE, Pyrazine, 2,3-diethyl-5-methyl-, MLS000515960, W333603_ALDRICH, FEMA No. 3336, 293814_ALDRICH, EINECS 242-024-6, ZINC00156048, SMR000112429, ST5307354

Molecular Formula: C9H14N2Molecular Weight: 150.220860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PSINWXIDJYEXLO-UHFFFAOYSA-N

• 2,3-Dimercaptopropanol
IUPAC Name: 2,3-bis(sulfanyl)propan-1-ol | CAS Registry Number: 59-52-9
Synonyms: Dithioglycerine, DIMERCAPROL, Sulfactin, Dicaptol, Dimersol, Antoxol, Panobal, dimercaptopropanol, Dithioglycerol, Dimercaptol, British antilewisite, Dimercaprol propanol, 2,3-Dimercapto-1-propanol, BAL in Oil, Usaf me-1, 1,2-Dithioglycerol, 2,3-Dithiopropanol, Sulfactin (VAN), British Anti-Lewisite, Dimerkaprol [Czech]

Molecular Formula: C3H8OS2Molecular Weight: 124.225020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WQABCVAJNWAXTE-UHFFFAOYSA-N

• 2,4,5,6-Tetraaminopyrimidine Sulfate
IUPAC Name: pyrimidine-2,4,5,6-tetramine; sulfuric acid | CAS Registry Number: 5392-28-9
Synonyms: Pyrimidinetetramine sulphate, Pyrimidinetetramine, sulfate, T3807_ALDRICH, 2,4,5,6-Tetraaminopyrimidine sulfate, Pyrimidinetetramine, sulfate (1:1), NSC3277, Pyrimidinetetrayltetraamine sulphate, NSC 3277, EINECS 226-393-0, EINECS 256-407-0, Pyrimidine, tetraamino-, sulfate (1:1), TL806380, 2,4,5,6-Tetraaminopyrimidine sulfate salt, AI3-17130, LS-135528, Pyrimidine, 2,4,5,6-tetraamino-, sulfate, 49647-58-7

Molecular Formula: C4H10N6O4SMolecular Weight: 238.225000 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 10

InChIKey: MQEFDQWUCTUJCP-UHFFFAOYSA-N

• 2,4-Dimethoxybenzaldehyde
IUPAC Name: 2,4-dimethoxybenzaldehyde | CAS Registry Number: 613-45-6
Synonyms: Benzaldehyde, 2,4-dimethoxy-, 2,4-bis(methyloxy)benzaldehyde, MLS000723769, D130400_ALDRICH, 38619_FLUKA, EINECS 210-342-4, NSC 27023, NSC27023, ZINC00157150, AI3-21269, SMR000305364, TL806274, LS-184890, ST5213370, AK-087/40243220, InChI=1/C9H10O3/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-6H,1-2H

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LWRSYTXEQUUTKW-UHFFFAOYSA-N

• 2,4-Dimethoxypyrimidine
IUPAC Name: 2,4-dimethoxypyrimidine | CAS Registry Number: 3551-55-1
Synonyms: 635162_ALDRICH, AIDS081827, AIDS-081827, ZINC00156811, ST5306963, TL8002636

Molecular Formula: C6H8N2O2Molecular Weight: 140.139920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KEVRHVMWBKFGLO-UHFFFAOYSA-N

• 2,4-Dimethylpyridine
IUPAC Name: 2,4-dimethylpyridine | CAS Registry Number: 108-47-4
Synonyms: 2,4-Lutidine, Pyridine, 2,4-dimethyl-, 2,4-DIMETHYLPYRIDINE, alpha,gamma-Dimethylpyridine, L3609_ALDRICH, NSC 2156, EINECS 203-586-8, .alpha.,.gamma.-Dimethylpyridine, NSC2156, BRN 0001506, AI3-24281, LS-88368, 5-20-06-00019 (Beilstein Handbook Reference), InChI=1/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H

Molecular Formula: C7H9NMolecular Weight: 107.153060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JYYNAJVZFGKDEQ-UHFFFAOYSA-N

• 2,3-Dimethoxy Cinnamic Acid
IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)prop-2-enoic acid | CAS Registry Number: 7461-60-1
Synonyms: 2,3-Dimethoxycinnamic acid, 2',3'-Dimethoxycinnamic acid, 275484_ALDRICH, trans-2,3-Dimethoxycinnamic acid, ALBB-006208, EINECS 231-249-5, (2E)-3-(2,3-dimethoxyphenyl)acrylic acid, ST5137726, (2E)-3-(2,3-Dimethoxyphenyl)-2-propenoic acid, 2-Propenoic acid, 3-(2,3-dimethoxyphenyl)-, 2-Propenoic acid, 3-(2,3-dimethoxyphenyl)-, (E)-, 7345-82-6, InChI=1/C11H12O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-7H,1-2H3,(H,12,13)/b7-6

Molecular Formula: C11H12O4Molecular Weight: 208.210580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QAXPUWGAGVERSJ-VOTSOKGWSA-N

• 2,4-Dimethyl Acetophenone
IUPAC Name: 1-(2,4-dimethylphenyl)ethanone | CAS Registry Number: 89-74-7
Synonyms: Acetyl-m-xylene, 2,4-Dimethylacetophenone, 2',4'-Dimethylacetophenone, Acetophenone, 2',4'-dimethyl-, Ethanone, 1-(2,4-dimethylphenyl)-, D138207_ALDRICH, W238708_ALDRICH, FEMA No. 2387, 38871_FLUKA, Methyl 2,4-dimethylphenyl ketone, NSC15333, EINECS 201-935-9, 1-(2,4-DIMETHYLPHENYL)ETHANONE, NSC 15333, ZINC01706892, Acetophenone, 2',4'-dimethyl- (8CI), AI3-20801, ST5331351

Molecular Formula: C10H12OMolecular Weight: 148.201680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HSDSKVWQTONQBJ-UHFFFAOYSA-N

• 2,4-Dimethyl-5-Acetyl Thiazole
IUPAC Name: 1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone | CAS Registry Number: 38205-60-6
Synonyms: 2,4-dimethyl-5-acetylthiazole, 5-Acetyl-2,4-dimethylthiazole, W326704_ALDRICH, FEMA No. 3267, 298085_ALDRICH, EINECS 253-826-0, SBB006624, ZINC00159554, 2,4-Dimethyl-5-thiazoyl methyl ketone, 1-(2,4-Dimethyl-5-thiazolyl)ethanone, Ketone, 2,4-dimethyl-5-thiazolyl methyl, 1-(2,4-Dimethylthiazol-5-yl)ethan-1-one, Ethanone, 1-(2,4-dimethyl-5-thiazolyl)-

Molecular Formula: C7H9NOSMolecular Weight: 155.217460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BLQOKWQUTLNKON-UHFFFAOYSA-N

• 2,4-Di tert Butyl Phenol
IUPAC Name: 2,4-ditert-butylphenol | CAS Registry Number: 96-76-4
Synonyms: 2,4-Di-tert-butylphenol, Prodox 146, Antioxidant No. 33, Phenol, 2,4-di-tert-butyl-, Prodox 146A-85X, 2,4-ditert-butylphenol, Phenol, 2,4-bis(1,1-dimethylethyl)-, 1-Hydroxy-2,4-di-tert-butylbenzene, 2,4-DI-T-BUTYLPHENOL, 137731_ALDRICH, 34785_FLUKA, EINECS 202-532-0, NSC 174502, Phenol, 2,4-di(1,1-dimethylethyl)-, BRN 1910383, NSC174502, ZINC01081075, NCGC00164059-01, WLN: 1X1&1&R BQ CX1&1&1, LS-104318

Molecular Formula: C14H22OMolecular Weight: 206.323880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ICKWICRCANNIBI-UHFFFAOYSA-N

• 2,2,2-trichloroethanol
IUPAC Name: 2,2,2-trichloroethanol | CAS Registry Number: 115-20-8
Synonyms: Trichloroethanol, Trichlorethanol, Trichloroethyl alcohol, 2,2,2-TRICHLOROETHANOL, 4yas, Ethanol, 2,2,2-trichloro-, 2,2,2-Trichloro-1-ethanol, .beta.-Trichloroethanol, (Hydroxymethyl)trichloromethane, 2,2,2-Trichloroethyl alcohol, WLN: Q1XGGG, C2H3Cl3O, CCRIS 6763, T54801_ALDRICH, CHEBI:28094, EINECS 204-071-0, NSC 66407, .beta.,.beta.,.beta-Trichloroethanol, ETHANOL,2,2,2-TRICHLORO, CPD-9673

Molecular Formula: C2H3Cl3OMolecular Weight: 149.403620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KPWDGTGXUYRARH-UHFFFAOYSA-N


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