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• 1,2-Octanediol
IUPAC Name: octane-1,2-diol | CAS Registry Number: 1117-86-8
Synonyms: 1,2-Dihydroxyoctane, 1,2-OCTANEDIOL, 1,2-Octylene glycol, octane-1,2-diol, NCIOpen2_000498, 213705_ALDRICH, CHEBI:34056, AIDS017556, AIDS-017556, NSC71546, EINECS 214-254-7, NSC 71546, AI3-13058, C14273, 87720-89-6

Molecular Formula: C8H18O2Molecular Weight: 146.227320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: AEIJTFQOBWATKX-UHFFFAOYSA-N

• 1-Octyne
IUPAC Name: oct-1-yne | CAS Registry Number: 629-05-0
Synonyms: Hexylacetylene, 1-OCTYNE, oct-1-yne, Ambap4596, 244465_ALDRICH, 74970_FLUKA, EINECS 211-069-3, CID12370, BRN 1734494, LS-98155, TL8004312, 4-01-00-01034 (Beilstein Handbook Reference), InChI=1/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H, 32073-03-3

Molecular Formula: C8H14Molecular Weight: 110.196760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UMIPWJGWASORKV-UHFFFAOYSA-N

• 1-Octyn-3-ol
IUPAC Name: oct-1-yn-3-ol | CAS Registry Number: 818-72-4
Synonyms: 1-OCTYN-3-OL, 1-Octyne-3-ol, oct-1-yn-3-ol, Oct-1-yne-3-ol, (1)-Oct-1-yn-3-ol, 127280_ALDRICH, 74973_FLUKA, EINECS 212-455-4, EINECS 253-713-6, BRN 1098642, SBB009107, LS-98164, 3-01-00-01996 (Beilstein Handbook Reference), 37911-28-7

Molecular Formula: C8H14OMolecular Weight: 126.196160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VUGRNZHKYVHZSN-UHFFFAOYSA-N

• 1,2,3,4,5-Pentamethylcyclopentadiene
IUPAC Name: 1,2,3,4,5-pentamethylcyclopenta-1,3-diene | CAS Registry Number: 4045-44-7
Synonyms: 214027_ALDRICH, EINECS 223-743-4, NSC222823, Cyclopentadiene, 1,2,3,4,5-pentamethyl-, 1,3-Cyclopentadiene, 1,2,3,4,5-pentamethyl-, 1,2,3,4,5-Pentamethyl-1,3-cyclopentadiene

Molecular Formula: C10H16Molecular Weight: 136.234040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WQIQNKQYEUMPBM-UHFFFAOYSA-N

• (R)(-)-1-Phenyl-1,2-Ethanediol
IUPAC Name: (1S)-1-phenylethane-1,2-diol | CAS Registry Number: 16355-00-3
Synonyms: ()-Styrene glycol, 1-phenylethane-1,2-diol, 1-Phenyl-1,2-ethanediol, 1,2-Ethanediol, 1-phenyl-, (S)-()-Phenylethylene glycol, 302155_ALDRICH, TE5119, ZINC00391852, (S)-()-1-Phenyl-1,2-ethanediol, 93-56-1, InChI=1/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H

Molecular Formula: C8H10O2Molecular Weight: 138.163800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PWMWNFMRSKOCEY-MRVPVSSYSA-N

• 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

• 1,1,3,3-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

• 2-(Trimethylsilyl) Ethoxymethyl Chloride
IUPAC Name: 2-(chloromethoxy)ethyl-trimethylsilane | CAS Registry Number: 76513-69-4
Synonyms: SEM-chloride, SEM-Cl, 238902_ALDRICH, 92749_FLUKA, EINECS 278-483-4, (2-Chloromethoxyethyl)trimethylsilane, 2-(Trimethylsilyl)ethoxymethyl chloride, CID2724271, Chloromethyl 2-trimethylsilylethyl ether, 2-Chloromethyl 2-(trimethylsilyl)ethyl ether

Molecular Formula: C6H15ClOSiMolecular Weight: 166.721200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BPXKZEMBEZGUAH-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

• 1,4-Diaminobutane
IUPAC Name: butane-1,4-diamine | CAS Registry Number: 110-60-1
Synonyms: putrescine, 1,4-butanediamine, 1,4-diaminobutane, Putrescin, tetramethylenediamine, Butylenediamine, Tetramethyldiamine, 1,4-Butylenediamine, putrescina, Putreszin, butane-1,4-diamine, Tetramethylendiamin, 1,4-Tetramethylenediamine, alpha,omega-Diamine, Spectrum_001646, 1i7c, 1i7m, 1,4-Diamino-n-butane, Putrescine dihydrochloride, Spectrum2_001935

Molecular Formula: C4H12N2Molecular Weight: 88.151480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: KIDHWZJUCRJVML-UHFFFAOYSA-N

• 1,8-Diaminooctane
IUPAC Name: octane-1,8-diamine | CAS Registry Number: 373-44-4
Synonyms: Octamethylenediamine, 1,8-Octanediamine, 1,8-Octylenediamine, 1,8-Octamethylenediamine, octane-1,8-diamine, OCTANE 1,8-DIAMINE, 1,8-Diaminooctane solution, D22401_ALDRICH, 16426_FLUKA, EINECS 206-764-3, 1,8-Diaminooctane 1 M solution, CID24250, BRN 1735426, DB04333, LS-97851, 3-04-00-00612 (Beilstein Handbook Reference), Additive Screening Solution 35/Fluka kit no 78374, DiA, 7613-16-3

Molecular Formula: C8H20N2Molecular Weight: 144.257800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PWGJDPKCLMLPJW-UHFFFAOYSA-N

• 2,4-Diaminophenol Dihydrochloride
IUPAC Name: 2,4-diaminophenol dihydrochloride | CAS Registry Number: 137-09-7
Synonyms: Amidol, Dianol, Acrol, 'Amidol', 2,4-Diaminophenol HCl, Diamidophenol hydrochloride, 2,4-Diaminophenol.2HCl, CCRIS 2118, 2,4-Diaminophenol hydrochloride, HSDB 4363, 230103_ALDRICH, NCI-C60026, 2,4-DIAMINOPHENOL DIHYDROCHLORIDE, NSC 1536, EINECS 205-279-4, Phenol, 2,4-diamino-, dihydrochloride, LS-801, 4-Hydroxy-m-phenylenediammonium dichloride, ST5407023, 2,4-DIAMINOPHENOL DIHYDROCHLORIDE (SEE ALSO 2, 4-DIAMINOPHENOL HYDROCHLORIDE29849-01-2)

Molecular Formula: C6H10Cl2N2OMolecular Weight: 197.062400 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 3

InChIKey: KQEIJFWAXDQUPR-UHFFFAOYSA-N

• 2,6-Dibromo-N-chloro-p-benzoquinoneimine
IUPAC Name: 2,6-dibromo-4-chloroiminocyclohexa-2,5-dien-1-one | CAS Registry Number: 537-45-1
Synonyms: BQC reagent, 2,6-Dibromoquinone chlorimide, 2,6-Dibromoquinone-4-chlorimide, 2,6-Dibromoquinone chloroimide, 2,6-Dibromoquinone chloroimine, 2,6-Dibromoquinone-4-chloroimide, N-Chloro-2,6-dibromoquinoneimine, 2,6-Dibromoquinone 4-chlorimide, NSC 528, NSC528, 34080_FLUKA, EINECS 208-667-1, 2,6-Dibromo-p-benzoquinone-4-chlorimine, WLN: L6V DYJ BE DUNG FE, CID10835, BRN 2094249, 2,6-DIBROMOQUINONECHLOROIMIDE, SBB008893, ZINC01555587, AI3-51570

Molecular Formula: C6H2Br2ClNOMolecular Weight: 299.347180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JYWKEVKEKOTYEX-UHFFFAOYSA-N

• 1,1-Dichloroacetone
IUPAC Name: 1,1-dichloropropan-2-one | CAS Registry Number: 513-88-2
Synonyms: 2-Propanone, 1,1-dichloro-, 1,1-Dichloro-2-propanone, sGQDBHaQBS]Tp@, Dichloromethyl methyl ketone, alpha,alpha-Dichloroacetone, 1,1-DICHLOROPROPANONE, .alpha.,.alpha.-Dichloroacetone, CCRIS 1941, 442210_SUPELCO, 10877_FLUKA, EINECS 208-175-7, 1,1-DCA, NSC 42725, NSC42725, BRN 1740214, ZINC01675518, AI3-52312, LS-122838, 4-01-00-03218 (Beilstein Handbook Reference), InChI=1/C3H4Cl2O/c1-2(6)3(4)5/h3H,1H

Molecular Formula: C3H4Cl2OMolecular Weight: 126.969260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CSVFWMMPUJDVKH-UHFFFAOYSA-N

• 2',7'-Dichlorofluorescein
IUPAC Name: 2',7'-dichloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one | CAS Registry Number: 76-54-0
Synonyms: dichlorofluorescin, Fluorescein 27, Dichlorofluorescein, monohlorofluorescein, 2,7-Dichlorofluorescein, 2',7'-dichlorofluorescin, D6665_SIGMA, 02591_FLUKA, 35848_FLUKA, CHEBI:51596, ZINC04261850, 2',7'-Dichlorofluorescein solution, 410217_SIAL, CID64944, EINECS 200-968-6, SBB008847, 2',7'-dichlorofluorescein, disodium salt, C037631, 2-(2,7-Dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, 2',7'-dichloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one

Molecular Formula: C20H10Cl2O5Molecular Weight: 401.196400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: VFNKZQNIXUFLBC-UHFFFAOYSA-N

• 2,4-Dichloro-5-Nitrobenzotrifluoride
IUPAC Name: 1,5-dichloro-2-nitro-4-(trifluoromethyl)benzene | CAS Registry Number: 400-70-4
Synonyms: 2,4-Dichloro-5-nitrobenzotrifluoride, 235814_ALDRICH, ZINC02166806, CID621179, SBB009907, TL8002896, 1,5-Dichloro-2-nitro-4-(trifluoromethyl)benzene, T5894473

Molecular Formula: C7H2Cl2F3NO2Molecular Weight: 259.997490 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: VLVNHMVSVDVAOA-UHFFFAOYSA-N

• 2,4-Dichlorophenylhydrazine HCL
IUPAC Name: (2,4-dichlorophenyl)hydrazine | CAS Registry Number: 5446-18-4
Synonyms: (2,4-dichlorophenyl)hydrazine, 1-(2,4-Dichlorophenyl)hydrazine, Hydrazine, (2,4-dichlorophenyl)-, ALBB-008833, NSC17186, CID408929, ZINC00085236, A2253/0094888

Molecular Formula: C6H6Cl2N2Molecular Weight: 177.031240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZTPAUBJZUBGGEY-UHFFFAOYSA-N

• 2,2-Diethoxyacetophenone
IUPAC Name: 2,2-diethoxy-1-phenylethanone | CAS Registry Number: 6175-45-7
Synonyms: Phenylglyoxal diethyl acetal, alpha,alpha-Diethoxyacetophenone, 2,2-Diethoxy-1-phenylethanone, Ethanone, 2,2-diethoxy-1-phenyl-, CCRIS 5222, Phenylglyoxal 2-diethyl acetal, 227102_ALDRICH, 2,2-Diethoxy-1-phenylethan-1-one, EINECS 228-220-4, NSC 66180, NSC66180, BRN 2100306, .alpha.,.alpha.-Diethoxyacetophenone, ZINC00388477, GLYOXAL, PHENYL-, 2-(DIETHYL ACETAL), LS-72987, 4-07-00-02130 (Beilstein Handbook Reference), 64131-70-0, 85568-36-1

Molecular Formula: C12H16O3Molecular Weight: 208.253640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PIZHFBODNLEQBL-UHFFFAOYSA-N

• 2,3-Dihydrofuran
IUPAC Name: 2,3-dihydrofuran | CAS Registry Number: 1191-99-7
Synonyms: 4,5-Dihydrofuran, Furan, 2,3-dihydro-, 200018_ALDRICH, CHEBI:51662, 2,3-DHF, ZINC01752336, CID70934, NSC85221, EINECS 214-747-7, NSC 85221, InChI=1/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H, 27535-65-5, 36312-17-1

Molecular Formula: C4H6OMolecular Weight: 70.089840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JKTCBAGSMQIFNL-UHFFFAOYSA-N

• 2,4-Dihydroxybenzaldehyde
IUPAC Name: 2,4-dihydroxybenzaldehyde | CAS Registry Number: 95-01-2
Synonyms: beta-Resorcylaldehyde, 4-Formylresorcinol, beta-Resorcaldehyde, beta-Resorcinaldehyde, beta-Rosorcaldehyde, 4-Hydroxysalicylaldehyde, .beta.-Resorcylaldehyde, 2,4-DIHYDROXYBENZALDEHYDE, beta-Resorcylic aldehyde, Benzaldehyde, 2,4-dihydroxy-, 4-Hydroxysalicyladehyde, .beta.-Resorcaldehyde, Salicylaldehyde, 4-hydroxy-, 2,4-Dihydroxybenzenecarbonal, .beta.-Resorcinaldehyde, 2,4-Dihydroxybenzaldehyd, .beta.-Resorcylic aldehyde, MLS001076174, 168637_ALDRICH, NSC 8690

Molecular Formula: C7H6O3Molecular Weight: 138.120740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IUNJCFABHJZSKB-UHFFFAOYSA-N

• 2,3-Dihydroxybenzoic Acid
IUPAC Name: 2,3-dihydroxybenzoic acid | CAS Registry Number: 303-38-8
Synonyms: 2,3-Dihydroxybenzoic acid, o-Pyrocatechuic acid, Pyrocatechuic acid, DOBK, 2-Pyrocatechuic acid, DHBA, 3-Hydroxysalicylic acid, Catecholcarboxylic acid, 2,3-dihydroxybenzoate, Benzoic acid, 2,3-dihydroxy-, 1l6m, 2,3 DHB, Benzoic acid, dihydroxy-, Spectrum2_001086, Spectrum3_001819, Catechol-3-carboxylic acid, BSPBio_003437, 2,3-DIHYDROXY-BENZOIC ACID, MLS001066375, 2-3-DIHYDROXYBENZOATE

Molecular Formula: C7H6O4Molecular Weight: 154.120140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: GLDQAMYCGOIJDV-UHFFFAOYSA-N

• 2,5-Dihydroxy-1,4-benzoquinone
IUPAC Name: 2,5-dihydroxycyclohexa-2,5-diene-1,4-dione | CAS Registry Number: 615-94-1
Synonyms: 2,5-Dihydroxy-p-benzoquinone, p-Benzoquinone, 2,5-dihydroxy-, 2,5-DHBQOP, 195464_ALDRICH, p-Benzoquinone, 2,5-dihydroxy, NSC3843, 2,5-Dihydroxybenzo-1,4-quinone, 2,5-Dihydroxybenzoquinone polymer, AIDS166852, AIDS220871, AIDS-166852, AIDS-220871, NSC 3843, EINECS 210-454-3, NSC144259, 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-, p-Benzoquinone, 2,5-dihydroxy- (8CI), AI3-23193, ST5330623, 1760-52-7

Molecular Formula: C6H4O4Molecular Weight: 140.093560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: QFSYADJLNBHAKO-UHFFFAOYSA-N

• 1,4-Diiodobutane
IUPAC Name: 1,4-diiodobutane | CAS Registry Number: 628-21-7
Synonyms: 1,4-Diodobutane, Tetramethylene diiodide, Tetramethylene iodide, BUTANE, 1,4-DIIODO-, D122602_ALDRICH, 38000_FLUKA, EINECS 211-032-1, NSC 31721, NSC31721, BRN 1098276, LS-45698, TL8004277, 4-01-00-00276 (Beilstein Handbook Reference), InChI=1/C4H8I2/c5-3-1-2-4-6/h1-4H

Molecular Formula: C4H8I2Molecular Weight: 309.915260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ROUYUBHVBIKMQO-UHFFFAOYSA-N

• 1,3-Dimethoxybenzene
IUPAC Name: 1,3-dimethoxybenzene | CAS Registry Number: 151-10-0
Synonyms: Benzene, m-dimethoxy-, 3-Methoxyanisole, Dimethyl resorcinol, Benzene, 1,3-dimethoxy-, Dimethylresorcinol, Methoxyanisole, m-, M-DIMETHOXYBENZENE, Resorcinol dimethyl ether, Ambap288, 3,5-Dimethoxybenzonitrile, FEMA No. 2385, W238503_ALDRICH, Dimethylether resorcinolu [Czech], 126306_ALDRICH, NSC 8699, 83610_FLUKA, EINECS 205-783-4, NSC8699, ZINC00388167, AI3-00845

Molecular Formula: C8H10O2Molecular Weight: 138.163800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DPZNOMCNRMUKPS-UHFFFAOYSA-N

• 1,3-Dimethyladamantane
IUPAC Name: 1,3-dimethyladamantane | CAS Registry Number: 702-79-4
Synonyms: 1,3-DIMETHYLADAMANTANE, Adamantane, 1,3-dimethyl-, 187836_ALDRICH, CHEBI:47900, EINECS 211-870-8, TL8004959, 1,3-Dimethyltricyclo(3.3.1.13,7)decane, Tricyclo[3.3.1.1(3,7)]decane, 1,3-dimethyl-, 1,3-dimethyltricyclo[3.3.1.1(3,7)]decane

Molecular Formula: C12H20Molecular Weight: 164.287200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: CWNOIUTVJRWADX-UHFFFAOYSA-N

• 2,5-Dimethylbenzothiazole
IUPAC Name: 2,5-dimethyl-1,3-benzothiazole | CAS Registry Number: 95-26-1
Synonyms: BENZOTHIAZOLE, 2,5-DIMETHYL-, 2,5-Dimethylbenzthiazol [Czech], 108839_ALDRICH, EINECS 202-404-4, 2,5-Dimethyl-1,3-benzothiazole, BRN 0116455, ZINC00388065, LS-40736, ST5406257, 4-27-00-01101 (Beilstein Handbook Reference), InChI=1/C9H9NS/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H

Molecular Formula: C9H9NSMolecular Weight: 163.239460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XHANCLXYCNTZMM-UHFFFAOYSA-N

• 1,2-Dimethylcyclohexane
IUPAC Name: 1,2-dimethylcyclohexane | CAS Registry Number: 583-57-3
Synonyms: Hexahydro-o-xylene, Cyclohexane, 1,2-dimethyl-, 1,2-DIMETHYLCYCLOHEXANE, cis-1,2-Dimethylcyclohexane, 1,6-Dimethyl-cis-cyclohexane, D153001_ALDRICH, trans-1,2-Dimethylcyclohexane, 39970_FLUKA, NSC43769, Cyclohexane, 1,2-dimethyl-, cis-, EINECS 209-509-4, NSC 43769, Cyclohexane, 1,2-dimethyl-, trans-, Cyclohexane, 1,2-dimethyl- (cis/trans), Cyclohexane, 1,2-dimethyl- (8CI)(9CI), 1,2-Dimethylcyclohexane, mixture of cis and trans

Molecular Formula: C8H16Molecular Weight: 112.212640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: KVZJLSYJROEPSQ-UHFFFAOYSA-N

• 2,4-Dimethyl-3-Ethylpyrrole
IUPAC Name: 3-ethyl-2,4-dimethyl-1H-pyrrole | CAS Registry Number: 517-22-6
Synonyms: Kryptopyrrole, Cryptopyrrole, Kryptopyrrol, Mauve factor, 3-Ethyl-2,4-dimethylpyrrole, 2,4-Dimethyl-3-ethylpyrrole, 1H-Pyrrole, 3-ethyl-2,4-dimethyl-, 3-Ethyl-2,4-dimethyl-1H-pyrrole, D158402_ALDRICH, PYRROLE, 3-ETHYL-2,4-DIMETHYL-, 40226_FLUKA, EINECS 208-234-7, NSC 62025, NSC62025, BRN 0107089, SBB004274, ZINC01690960, LS-136969, 1H-Pyrrole, 3-ethyl-2,4-dimethyl- (9CI), 5-20-05-00099 (Beilstein Handbook Reference)

Molecular Formula: C8H13NMolecular Weight: 123.195520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ZEBBLOXDLGIMEG-UHFFFAOYSA-N

• 2,5-Dimethylfuran
IUPAC Name: 2,5-dimethylfuran | CAS Registry Number: 625-86-5
Synonyms: 2,5-DIMETHYLFURAN, Furan, 2,5-dimethyl-, CCRIS 3158, WLN: T5OJ B1 E1, NSC6220, 177717_ALDRICH, NSC 6220, EINECS 210-914-3, CID12266, ZINC01693339, AI3-21212, LS-1503, NCGC00091694-01, TL8004196, InChI=1/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H

Molecular Formula: C6H8OMolecular Weight: 96.127120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GSNUFIFRDBKVIE-UHFFFAOYSA-N

• 2,5-Dimethylpyrazine
IUPAC Name: 2,5-dimethylpyrazine | CAS Registry Number: 123-32-0
Synonyms: Pyrazine, 2,5-dimethyl-, 2,5-DIMETHYLPYRAZINE, 2,5-Dimethylpiazine, 2,5-Dimethylparadiazine, 2,5-Dimethyl pyrazine, 2,5-Dimethyl-1,4-diazine, FEMA No. 3272, CCRIS 2929, 2,5-Dimethylpyrazine (natural), W327204_ALDRICH, PYRAZINE,2,5-DIMETHYL, 175420_ALDRICH, 41535_FLUKA, EINECS 204-618-3, WLN: T6N DNJ B1 E1, NSC 49139, NSC49139, ZINC00003182, AI3-60303, LS-2694

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LCZUOKDVTBMCMX-UHFFFAOYSA-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

• 2-Chloroethyl Vinyl Ether
IUPAC Name: 2-chloroethoxyethene | CAS Registry Number: 110-75-8
Synonyms: Ether, 2-chloroethyl vinyl, Ethene, (2-chloroethoxy)-, 2-Vinyloxyethyl chloride, (2-Chloroethoxy)ethene, Vinyl 2-chloroethyl ether, Ethene, 2-chloroethoxy-, 2-Chlorethyl vinyl ether, Ether, 2-chlorethyl vinyl, RCRA waste no. U042, RCRA waste number U042, beta-Chloroethyl vinyl ether, Vinyl beta-chloroethyl ether, 2-CHLOROETHYL VINYL ETHER, HSDB 1330, WLN: G2O1U1, .beta.-Chloroethyl vinyl ether, Vinyl .beta.-chloroethyl ether, 109983_ALDRICH, NSC 8261, EINECS 203-799-6

Molecular Formula: C4H7ClOMolecular Weight: 106.550780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DNJRKFKAFWSXSE-UHFFFAOYSA-N

• 1,2,4-Butanetriol
IUPAC Name: butane-1,2,4-triol | CAS Registry Number: 3068-00-6
Synonyms: 2-Deoxyerythritol, 1,3,4-Butanetriol, Triol 124, 1,2,4-BUTANETRIOL, Butane-1,2,4-Triol, 1,2,4-Trihydroxybutane, ()-1,2,4-Butanetriol, 1,2,4-Butantriol [German], 19040_FLUKA, EINECS 221-323-5, NSC 60197, NSC60197, BRN 1733456, FR-0154, NCGC00166053-01, NCGC00166117-01, NCGC00166126-01, LS-46030, 2-01-00-00596 (Beilstein Handbook Reference), 6810-31-7

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

InChIKey: ARXKVVRQIIOZGF-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


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