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• 2,3,5-Triiodobenzoic acid
IUPAC Name: 2,3,5-triiodobenzoic acid | CAS Registry Number: 88-82-4
Synonyms: Floraltone, Johnkolor, Triiodobenzoic acid, TIBA, Regim 8, Regin 8, Caswell No. 890A, 2,3,5-TRIIODOBENZOIC ACID, Benzoic acid, 2,3,5-triiodo-, Triiodobenzoic acid (VAN), WLN: QVR BI CI EI, 2,3,5-TIBA, T5910_SIGMA, 120979_ALDRICH, NSC 2582, EINECS 201-859-6, CID6948, NSC2582, AIDS018028, EPA Pesticide Chemical Code 009104

Molecular Formula: C7H3I3O2Molecular Weight: 499.810930 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZMZGFLUUZLELNE-UHFFFAOYSA-N

• (S)-(+)-α-Methoxy-α-Trifluoromethylphenylacetyl Chloride
IUPAC Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride | CAS Registry Number: 20445-33-4
Synonyms: Mosher's acid chloride, (-)-MTPA-Cl, (-)-Mosher's Acid Chloride, (R)-(-)-MTPA-Cl, 65363_FLUKA, MolPort-001-776-076, ZINC02584598, CID3080792, M1104, (-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl chloride, (R)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl chloride, Benzeneacetyl chloride, alpha-methoxy-alpha-(trifluoromethyl)-, (R)-, 39637-99-5

Molecular Formula: C10H8ClF3O2Molecular Weight: 252.617530 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: PAORVUMOXXAMPL-VIFPVBQESA-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

• (R,R)-N,N'-bis(3,5-di-tbutylsalicylidene)-1,2-cyclohexanediaminoManganese (III) chloride
IUPAC Name: 2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;manganese(3+);chloride | CAS Registry Number: 138124-32-0
Synonyms: UNII-WPP775Y8PO, WPP775Y8PO, Jacobsen's catalyst, Jacobsen's catalyst [MI], (R,R)-Jacobsen's catalyst, GEO-03071, CB-1743, Jacobsen's catalyst (R,R)-form [MI], UNII-45S483EOVD component LJVAWOSDJSQANR-OHRASPNLSA-K, (-)-Chloro((1R,2R)-4,4',6,6'-tetra-tert-butyl-2,2'-(cyclohexane-1,2-diylbis(nitrilomethylidyne))diphenolato(manganese(III), (N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine)manganese(III) chloride, (R,R)-, (N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine)manganese(III) chloride, (R,R)-rel-, (N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine)manganese(III) chloride, (RS,RS)-, (R,R)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminomanganese(III) chloride, (R,R)-(-)-N,N?-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminomanganese(III) chloride, (R,R)-(N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine)manganese(III) chloride, 149656-63-3, Manganese, chloro((2,2'-((1R,2R)-1,2-cyclohexanediylbis((nitrilo-kappaN)methylidyne))bis(4,6-bis(1,1-dimethylethyl)phenolato-kappaO))(2-))-, (sp-5-13)-, Manganese, chloro((2,2'-(1,2-cyclohexanediylbis(nitrilomethylidyne))bis(4,6-bis(1,1-dimethylethyl)phenolato))(2-)-N,N',O,O')-, (sp-5-13-(trans))-, Manganese, chloro((rel-2,2'-((1R,2R)-1,2-cyclohexanediylbis((nitrilo-kappaN)methylidyne))bis(4,6-bis(1,1-dimethylethyl)phenolato-kappaO))(2-))-, (sp-5-13)-

Molecular Formula: C36H52ClMnN2O2Molecular Weight: 635.201325 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: LJVAWOSDJSQANR-SEILFYAJSA-K

• 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-Aminothiophenol
IUPAC Name: 2-aminobenzenethiol | CAS Registry Number: 137-07-5
Synonyms: o-Mercaptoaniline, 2-Mercaptoaniline, o-Aminothiophenol, 2-Mercaptaniline, o-Aminobenzenethiol, Benzenethiol, 2-amino-, 2-AMINOBENZENETHIOL, Benzenethiol, o-amino-, 2-Amino thiophenol, 1-Amino-2-mercaptobenzene, o-Aminophenyl mercaptan, 2-Aminophenyl mercaptan, USAF EK-4376, WLN: ZR BSH, 123137_ALDRICH, 274240_ALDRICH, CCRIS 9096, NSC 4738, EINECS 205-277-3, CID8713

Molecular Formula: C6H7NSMolecular Weight: 125.191480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VRVRGVPWCUEOGV-UHFFFAOYSA-N

• 2,2-Dimethylsuccinic Acid
IUPAC Name: 2,2-dimethylbutanedioic acid | CAS Registry Number: 597-43-3
Synonyms: 2,2-DIMETHYLSUCCINIC ACID, 2,2-Dimethylbutanedioic acid, NCIOpen2_003737, D186007_ALDRICH, Butanedioic acid, 2,2-dimethyl-, Succinic acid, 2,2-dimethyl-, 39660_FLUKA, AIDS017695, LTBB004898, AIDS-017695, CID11701, EINECS 209-899-6, alpha,alpha-DIMETHYLSUCCINIC ACID, NSC408419, .alpha.,.alpha.-Dimethyl-succinic acid, AI3-23398, TL8003798, 2,2-Dimethylbutanedioic acid 2,2-Dimethylsuccinic acid

Molecular Formula: C6H10O4Molecular Weight: 146.141200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: GOHPTLYPQCTZSE-UHFFFAOYSA-N

• 2-Amino-5-Chlorobenzophenone
IUPAC Name: (2-amino-5-chlorophenyl)-phenylmethanone | CAS Registry Number: 719-59-5
Synonyms: 2-Amino-5-chlorobenzophenone, 2-Benzoyl-4-chloroaniline, 2-Amino-5-chlorbenzophenone, 5-Chloro-2-aminobenzophenone, 2-Amino-5-chlorobenzylphenone, Benzophenone, 2-amino-5-chloro-, 4-Chloro-2-benzoylaniline, Oprea1_343888, A45564_ALDRICH, MLS000682800, 07401_FLUKA, EINECS 211-949-7, NSC 84157, METHANONE, (2-AMINO-5-CHLOROPHENYL)PHENYL-, (2-amino-5-chlorophenyl)(phenyl)methanone, NSC84157, (2-Amino-5-chlorophenyl)phenylmethanone, BRN 0475640, SBB003271, ZINC00155592

Molecular Formula: C13H10ClNOMolecular Weight: 231.677600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZUWXHHBROGLWNH-UHFFFAOYSA-N

• 2-Acetylcyclopentanone
IUPAC Name: 2-acetylcyclopentan-1-one | CAS Registry Number: 1670-46-8
Synonyms: Acetylcyclopentanone, o-Acetylcyclopentanone, Cyclopentanone, 2-acetyl-, alpha-Acetylcyclopentanone, 2-Acetylcyclopentan-1-one, .alpha.-Acetylcyclopentanone, 179779_ALDRICH, EINECS 216-797-5, NSC 141181, BRN 1857601, NSC141181, AI3-19254, LS-58063, 4-07-00-01993 (Beilstein Handbook Reference)

Molecular Formula: C7H10O2Molecular Weight: 126.153100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OSWDNIFICGLKEE-UHFFFAOYSA-N

• (Trifluoromethyl)trimethylsilane
IUPAC Name: tert-butyl(trifluoromethyl)silicon | CAS Registry Number: 81290-20-2
Synonyms: Ruppert's Reagent, T143

Molecular Formula: C5H9F3SiMolecular Weight: 154.205670 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RGMMWQGDXQHZAD-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

• 1-Naphthol
IUPAC Name: naphthalen-1-ol | CAS Registry Number: 90-15-3
Synonyms: 1-NAPHTHOL, alpha-naphthol, 1-Naphthalenol, naphthalen-1-ol, Fouramine ERN, Fourrine ERN, Tertral ERN, Furro ER, Basf Ursol ERN, 1-Hydroxynaphthalene, Ursol ERN, Fourrine 99, Nako TRB, Zoba ERN, Durafur developer D, .alpha.-Naphthol, alpha-Hydroxynaphthalene, nchembio791-comp4, C.I. Oxidation Base 33, NAPHTHOL

Molecular Formula: C10H8OMolecular Weight: 144.169920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KJCVRFUGPWSIIH-UHFFFAOYSA-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-Butoxyacetic acid
IUPAC Name: 2-butoxyacetic acid | CAS Registry Number: 2516-93-0
Synonyms: Butoxyacetic acid, n-Butoxyacetic acid, Acetic acid, butoxy-, CCRIS 7195, NSC 10980, NSC10980, LS-188271, 56637-93-5

Molecular Formula: C6H12O3Molecular Weight: 132.157680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AJQOASGWDCBKCJ-UHFFFAOYSA-N

• (-)-Beta-Hydrastine
IUPAC Name: 6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one | CAS Registry Number: 118-08-1
Synonyms: HYDRASTINE, beta-Hydrastine, l-Hydrastine, (+)-Hydrastine, Oprea1_165991, Oprea1_763992, MLS001210424, MEGxp0_001472, CID1309, UNII-8890V3217X, EINECS 204-233-0, BRN 0098575, NCGC00091048-01, NCGC00091048-02, NCGC00091048-03, NCGC00091048-04, NCGC00091048-05, NCGC00093981-01, NCGC00093981-02, NCGC00093981-03

Molecular Formula: C21H21NO6Molecular Weight: 383.394540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: JZUTXVTYJDCMDU-UHFFFAOYSA-N

• 2,4-Dichlorobenzoic Acid
IUPAC Name: 2,4-dichlorobenzoic acid | CAS Registry Number: 50-84-0
Synonyms: 2,4-DICHLOROBENZOIC ACID, Benzoic acid, 2,4-dichloro-, 2,4-Dichlorobenzoate, WLN: QVR BG DG, NSC 578, 139572_ALDRICH, 36749_RIEDEL, NSC578, 35300_FLUKA, CHEBI:30748, EINECS 200-067-8, AIDS018019, AIDS-018019, BRN 1868192, LS-146, AI3-14873, NCGC00091214-01, TL806117, ST5213899, C06670

Molecular Formula: C7H4Cl2O2Molecular Weight: 191.011460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ATCRIUVQKHMXSH-UHFFFAOYSA-N

• 2,6-Bis(chloromethyl)pyridine
IUPAC Name: 2,6-bis(chloromethyl)pyridine | CAS Registry Number: 3099-28-3
Synonyms: 2,6-Bis-chloromethyl-pyridine, 405418_ALDRICH, alpha,alpha'-Dichloro-2,6-lutidine, NSC244982, ST5411229

Molecular Formula: C7H7Cl2NMolecular Weight: 176.043180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IWQNFYRJSVJWQA-UHFFFAOYSA-N

• (1R,2R)-Trans-1,2-Cyclohexanediol
IUPAC Name: (1R,2R)-cyclohexane-1,2-diol | CAS Registry Number: 1072-86-2
Synonyms: trans-1,2-Cyclohexanediol, trans-Cyclohexane-1,2-diol, l6tj aq bq&&trans, (1R,2R)-trans-1,2-Cyclohexanediol, (1R)-trans-1,2-Cyclohexanediol, 1460-57-7, NSC 34836, SureCN379845, AC1L3P1J, AC1Q59IU, 141712_ALDRICH, 421790_ALDRICH, (1R,2R)cyclohexane-1,2-diol, CHEBI:16931, CTK0H9480, MolPort-001-780-094, (1R,2R)-cyclohexane-1,2-diol, EINECS 215-956-6, ANW-20984, AR-1J2920

Molecular Formula: C6H12O2Molecular Weight: 116.158280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PFURGBBHAOXLIO-PHDIDXHHSA-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-Mercaptobenzoxazole
IUPAC Name: 3H-1,3-benzoxazole-2-thione | CAS Registry Number: 2382-96-9
Synonyms: Benzoxazolinethione, 2(3H)-Benzoxazolethione, 2-Benzoxazolinethione, 2-BENZOXAZOLETHIOL, 2-Benzoxazolethione, 2-Benzoxazolylthiol, Benzoxazole-2-thiol, Benzoxazole, 2-mercapto-, Benzooxazole-2-thiol, 2-Mercapto-1,3-benzoxazole, M3507_ALDRICH, 2-Benzoxazolinethione (7CI), MLS000696385, 1,3-Benzoxazole-2(3H)-thione, BENZOXAZOLINE,2-THIONE, NSC 2128, 1,3-benzoxazol-2-ylhydrosulfide, EINECS 219-191-9, NSC2128, NSC209084

Molecular Formula: C7H5NOSMolecular Weight: 151.185700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: FLFWJIBUZQARMD-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-Bromo Propionic Acid
IUPAC Name: 2-bromopropanoic acid | CAS Registry Number: 598-72-1
Synonyms: 2-Bromopropanoic acid, Propanoic acid, 2-bromo-, 2-BROMOPROPIONIC ACID, Propionic acid, 2-bromo-, alpha-Bromopropionic acid, .alpha.-Bromopropionic acid, WLN: QVYE1, ()-2-Bromopropionic acid, NCIOpen2_009509, B78300_ALDRICH, NSC 172, (+/-)-2-Bromopropionic acid, 442337_SUPELCO, NSC172, 18170_FLUKA, EINECS 209-947-6, AI3-52314, Propionic acid, 2-bromo- (6CI,7CI,8CI), Propanoic acid, 2-bromo-, (.+/-.)-, LS-121233

Molecular Formula: C3H5BrO2Molecular Weight: 152.974600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MONMFXREYOKQTI-UHFFFAOYSA-N

• 1-Decene
IUPAC Name: dec-1-ene | CAS Registry Number: 872-05-9
Synonyms: Decylene, 1-DECENE, n-1-Decene, Dec-1-ene, alpha-Decene, n-Decylene, Gulftene 10, Poly(1-decene), 1-n-Decene, Decene, n-, Dialene 10, 1-Decene homopolymer, Hydrogenated polydecene, 1-Decene, homopolymer, CCRIS 5718, D1807_ALDRICH, Alkenes, C10-16 alpha-, (C10-C16) alpha-Olefin, HSDB 1073, Poly(1-decene), hydrogenated

Molecular Formula: C10H20Molecular Weight: 140.265800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: AFFLGGQVNFXPEV-UHFFFAOYSA-N

• 3-Bromopropane
IUPAC Name: 1-bromopropane | CAS Registry Number: 106-94-5
Synonyms: N-Propyl bromide, 1-BROMOPROPANE, Propyl bromide, Propane, 1-bromo-, Propane, bromo-, BROMOPROPANE, 1-BROMO-PROPANE, CCRIS 30, B78106_ALDRICH, HSDB 1068, EINECS 203-445-0, CID7840, LS-414, AI3-18129, NCGC00091561-01, ST5214539, TL8000248, InChI=1/C3H7Br/c1-2-3-4/h2-3H2,1H, 3BR, 26446-77-5

Molecular Formula: C3H7BrMolecular Weight: 122.991680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: CYNYIHKIEHGYOZ-UHFFFAOYSA-N

• 1-(3-Sulfopropyl)pyridinium hydroxide inner salt
IUPAC Name: 3-pyridin-1-ium-1-ylpropane-1-sulfonate | CAS Registry Number: 15471-17-7
Synonyms: NDSB 201, NDSB-201, 82804_FLUKA, 1-(3-Sulphonatopropyl)pyridinium, N-3-Sulfopropylpyridinium betaine, 1-(3-Sulfopropyl)pyridinium betain, EINECS 239-491-3, 3-(1-Pyridinio)-1-propanesulfonate, IN1213, 3-(1-Pyridino)-1-propane Sulfonate, 1-(3-SULFOPROPYL) PYRIDINIUM, PPS, Pyridinium, 1-(3-sulfopropyl)-, inner salt, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, 1-(3-Sulfopropyl)pyridinium hydroxide, inner salt, Pyridinium, 1-(3-sulfopropyl)-, hydroxide, inner salt, 1PS, PPS

Molecular Formula: C8H11NO3SMolecular Weight: 201.242840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: REEBJQTUIJTGAL-UHFFFAOYSA-N

• 1-(boc-amino)cyclopentanecarboxylic Acid
IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate | CAS Registry Number: 35264-09-6
Synonyms: ZINC04202565, CID7128354

Molecular Formula: C11H18NO4-Molecular Weight: 228.264920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YBZCSKVLXBOFSL-UHFFFAOYSA-M

• 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-Naphthylamine
IUPAC Name: naphthalen-1-amine | CAS Registry Number: 134-32-7
Synonyms: 1-Naphthalenamine, 1-NAPHTHYLAMINE, Naphthalidine, 1-Aminonaphthalene, alpha-Naphthylamine, 1-Naphthalamine, Naphthalidam, naphthalen-1-amine, Naphthylamine, Naphthaleneamine, 1 Naphthylamine, 1-Naphthylamin, alpha-Aminonaphthalene, 1-Naftilamina, Fast Garnet B Base, Fast Garnet Base B, 1 Aminonaphthalene, 8 Aminonaphthalene, 8-Aminonaphthalene, alpha Naphthylamine

Molecular Formula: C10H9NMolecular Weight: 143.185160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RUFPHBVGCFYCNW-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

• (1S)-(-)-Camphanic chloride
IUPAC Name: (1R,4S)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl chloride | CAS Registry Number: 39637-74-6
Synonyms: Camphanoylchloride, Camphanoyl chloride, Ambap5166, 226173_ALDRICH, 21287_FLUKA, (−)-Camphanoyl chloride, EINECS 254-552-4, ZINC02508200, 3-Oxa-2-oxobornane-4-carbonyl chloride, (1S)-(−)-Camphanic chloride, (1S)-3-Oxo-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride, 2-Oxabicyclo(2.2.1)heptane-1-carbonyl chloride, 4,7,7-trimethyl-3-oxo-, (1S)-

Molecular Formula: C10H13ClO3Molecular Weight: 216.661420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PAXWODJTHKJQDZ-VHSXEESVSA-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-Dinitrofluorobenzene
IUPAC Name: 1-fluoro-2,4-dinitrobenzene | CAS Registry Number: 70-34-8
Synonyms: Dinitrofluorobenzene, DNFB, FDNB, Sanger reagent, Fluorodinitrobenzene, Sanger's Reagent, 1-FLUORO-2,4-DINITROBENZENE, DNPF, Benzene, 1-fluoro-2,4-dinitro-, Fluoro-2,4-dinitrobenzene, 2,4-Dinitrobenzenefluoride, 2,4-Dinitro-1-fluorobenzene, 2,4-Dinitrophenyl fluoride, DFB (VAN), Fluorodinitrobenzene (VAN), WLN: WNR BF ENW, 2,4-Dinitrobenzene fluoride, 2,4-DNFB, CCRIS 1800, 1,2,4-Fluorodinitrobenzene

Molecular Formula: C6H3FN2O4Molecular Weight: 186.097423 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: LOTKRQAVGJMPNV-UHFFFAOYSA-N

• 2,4-Dimethoxybenzylamine hydrochloride
IUPAC Name: (2,4-dimethoxyphenyl)methylazanium | CAS Registry Number: 20781-21-9
Synonyms: ZINC00119693, CID5174535

Molecular Formula: C9H14NO2+Molecular Weight: 168.212960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QOWBXWFYRXSBAS-UHFFFAOYSA-O

• 1-Fmoc-4-Piperidineacetic Acid
IUPAC Name: 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]acetate | CAS Registry Number: 180181-05-9
Synonyms: ZINC00622002, CID6957983

Molecular Formula: C22H22NO4-Molecular Weight: 364.414380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: CQAGUAUKAZHOSU-UHFFFAOYSA-M

• 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

• 1-Hexadecene
IUPAC Name: hexadec-1-ene | CAS Registry Number: 629-73-2
Synonyms: Cetene, Hexadecylene-1, Cetylene, alpha-Hexadecene, 1-Cetene, Hexadecene, .alpha.-Hexadecene, 1-n-Hexadecene, alpha-Hexadecylene, Gulftene 16, Dialene 16, Hexadec-1-ene, N-HEXADEC-1-ENE, HSDB 5730, H2131_SIGMA, 442268_SUPELCO, Alkenes, C14-18 .alpha.-, 52276_FLUKA, EINECS 211-105-8, NSC 60602

Molecular Formula: C16H32Molecular Weight: 224.425280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: GQEZCXVZFLOKMC-UHFFFAOYSA-N

• 2-Aminobenzophenone
IUPAC Name: (2-aminophenyl)-phenylmethanone | CAS Registry Number: 2835-77-0
Synonyms: o-Benzoylaniline, 2-Benzoylaniline, o-Aminobenzophenone, Benzophenone, 2-amino-, 2-Aminophenyl phenyl ketone, Oprea1_344183, Oprea1_386897, A41208_ALDRICH, MLS000103987, ARONIS021120, IFLab1_000932, Methanone, (2-aminophenyl)phenyl-, Benzophenone, 2-amino- (8CI), (2-aminophenyl)(phenyl)methanone, NSC9422, NSC 9422, EINECS 220-613-9, SBB003573, ZINC00143376, SMR000015734

Molecular Formula: C13H11NOMolecular Weight: 197.232540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MAOBFOXLCJIFLV-UHFFFAOYSA-N

• 4-(1-Pyrrolidinyl) Butyronitrile
IUPAC Name: 4-pyrrolidin-1-ylbutanenitrile | CAS Registry Number: 35543-25-0
Synonyms: 1-Pyrrolidinebutyronitrile, Pseudothiohydantoin, 1-Pyrrolidinebutanenitrile, 4-Pyrrolidinylbutanenitrile, 4-Pyrrolidin-1-ylbutyronitrile, 4-(1-Pyrrolidine)butyronitrile, P55600_ALDRICH, P73900_ALDRICH, 4-(N-Pyrrolidino)butyronitrile, EINECS 252-612-4, BRN 1341555, BBV-085270, LS-137316, 5-20-01-00354 (Beilstein Handbook Reference)

Molecular Formula: C8H14N2Molecular Weight: 138.210160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OSDDDHPYSNZBPF-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

• 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-Nonadecene
IUPAC Name: nonadec-1-ene | CAS Registry Number: 18435-45-5
Synonyms: Nonadecene, 1-NONADECENE, Nonadec-1-ene, N2008_SIGMA, 74230_FLUKA, CID29075, NSC77135, EINECS 242-313-7, EINECS 248-442-5, NSC 77135, AI3-36475, 27400-77-7

Molecular Formula: C19H38Molecular Weight: 266.505020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: NHLUYCJZUXOUBX-UHFFFAOYSA-N

• (2s)-(+)-2,5-dihydro-3,6-dimethoxy-2-isopropylpyrazine
IUPAC Name: (2S)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine | CAS Registry Number: 78342-42-4
Synonyms: (S)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine, (2s)-2-isopropyl-3,6-dimethoxy-2,5-dihydropyrazine, (2S)-(+)-2,5-DIHYDRO-3,6-DIMETHOXY-2-ISOPROPYLPYRAZINE, (S)-2,5-Dimethoxy-3-isopropyl-3,6-dihydropyrazine, (S)-2-Isopropyl-3,6-dimethoxy-2,5-dihydropyrazine, (2S)-2,5-Dihydro-2-isopropyl-3,6-dimethoxypyrazine, (2S)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine, 79586-96-2, ZINC00155428, PubChem9917, AC1LEHA0, SureCN369237, AC1Q4F7K, AC1Q55IB, KSC491G0N, CHEMBL169371, 37289_FLUKA, CTK3J1306, CHEBI:383381, MolPort-003-931-232

Molecular Formula: C9H16N2O2Molecular Weight: 184.235540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: FCFWEOGTZZPCTO-QMMMGPOBSA-N

• 2-Bromo Benzoyl Chloride
IUPAC Name: 2-bromobenzoyl chloride | CAS Registry Number: 7154-66-7
Synonyms: 2-Bromobenzoyl chloride, o-Bromobenzoyl chloride, Benzoyl chloride, 2-bromo-, WLN: GVR BE, BENZOYL CHLORIDE, o-BROMO-, B59179_ALDRICH, EINECS 230-507-4, NSC 73706, NSC73706, Benzoyl chloride, 2-bromo- (9CI), BRN 0508506, ZINC01699267, LS-42592, ST5214210, 4-09-00-01013 (Beilstein Handbook Reference)

Molecular Formula: C7H4BrClOMolecular Weight: 219.463060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NZCKTGCKFJDGFD-UHFFFAOYSA-N

• 2,3-Dihydroxynaphthalene
IUPAC Name: naphthalene-2,3-diol | CAS Registry Number: 92-44-4
Synonyms: Naphthalene-2,3-diol, 2,3-NAPHTHALENEDIOL, 2,3-Dihydroxynaphthlene, 2,3-Dihydroxynapthalene, Ambap1518, WLN: L66J CQ DQ, NSC 8707, 37760_FLUKA, 37761_FLUKA, CHEBI:38135, EINECS 202-156-7, NSC8707, 2,3-DIHYDROXY-NAPHTHALENE, AIDS042574, AIDS-042574, BRN 0742375, c1009, ZINC00388553, AI3-18148, LS-94571

Molecular Formula: C10H8O2Molecular Weight: 160.169320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JRNGUTKWMSBIBF-UHFFFAOYSA-N

• 1-(2-Chloroethyl)-4-Methoxybenzene
IUPAC Name: 1-(2-chloroethyl)-4-methoxybenzene | CAS Registry Number: 18217-00-0
Synonyms: CHEBI:184395, ZINC02168818, CID87513, EINECS 242-099-5, 4-(2-Chloroethyl)phenyl methyl ether, 1-(2-Chloro-ethyl)-4-methoxy-benzene, T5225166

Molecular Formula: C9H11ClOMolecular Weight: 170.636040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PMIAMRAWHYEPNH-UHFFFAOYSA-N

• (3-Trimethylsilyl-2-propynyl)triphenylphosphonium Bromide
IUPAC Name: triphenyl(3-trimethylsilylprop-2-ynyl)phosphanium;bromide | CAS Registry Number: 42134-49-6
Synonyms: (3-Trimethylsilyl-2-propynyl)triphenylphosphonium bromide, ACMC-209jnp, AC1MC3D6, CTK1D5586, ANW-29747, AKOS015833049, FT-0639763, T1498, I14-18951, triphenyl(3-trimethylsilylprop-2-ynyl)phosphanium bromide, Phosphonium, triphenyl[3-(trimethylsilyl)-2-propyn-1-yl]-, bromide (1:1)

Molecular Formula: C24H26BrPSiMolecular Weight: 453.426502 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PBSHVEOONSKWJF-UHFFFAOYSA-M

• 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

• 2,6-DCA
IUPAC Name: 2,6-dichloroaniline | CAS Registry Number: 608-31-1
Synonyms: 2,6-DICHLOROANILINE, 2,6-Dichloranilin, Benzenamine, 2,6-dichloro-, 2,6-dichlorobenzenamine, D55504_ALDRICH, 36703_RIEDEL, 35200_FLUKA, CHEBI:46630, EINECS 210-160-5, ZINC02567970, LS-28227, ST5406285, TL80073954, InChI=1/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H, 51225-19-5

Molecular Formula: C6H5Cl2NMolecular Weight: 162.016600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: JDMFXJULNGEPOI-UHFFFAOYSA-N

• 1 5-Pentanediol
IUPAC Name: pentane-1,5-diol | CAS Registry Number: 111-29-5
Synonyms: Pentylene glycol, 1,5-PENTANEDIOL, Pentamethylene glycol, Pentane-1,5-diol, 1,5-Dihydroxypentane, 1,5-Pentylene glycol, .omega.-Pentanediol, alpha,omega-Pentanediol, 1,5-Pentamethylene glycol, Ambap1523, .alpha.,.omega.-Pentanediol, WLN: Q5Q, P7703_SIAL, NSC 5927, 76892_FLUKA, EINECS 203-854-4, NSC5927, BRN 1560130, ZINC01687319, AI3-03318

Molecular Formula: C5H12O2Molecular Weight: 104.147580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ALQSHHUCVQOPAS-UHFFFAOYSA-N

• 18alpha-Glycyrrhetinic acid
IUPAC Name: 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid | CAS Registry Number: 1449-05-4
Synonyms: enoxolone, Glycyrrhetin, Glycyrrhetic acid, Biosone, Uralenic acid, Glyccyrhetic acid, 3-Glycyrrhetinic acid, beta-Glycyrrhetinic acid, .beta.-Glycyrrhetinic acid, .beta.-Glycyrrhetic acid, GLYCYRRHETINIC ACID, 18beta-Glycyrrhetinic acid, .alpha.-Glycyrrhetinic acid, 18.beta.-Glycyrrhetic acid, 18.beta.-Glycyrrhtinic acid, 18.beta.-Glycyrrhetinic acid, 18.alpha.-Glycyrrhetinic acid, Glycyrrhetinic acid, 18 alpha-, NSC35347, NSC35350

Molecular Formula: C30H46O4Molecular Weight: 470.683840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: MPDGHEJMBKOTSU-UHFFFAOYSA-N


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