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• 1,3,4,5-Tetrachloro-2,6-Dicyanobenzene
IUPAC Name: 2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile | CAS Registry Number: 1897-45-6
Synonyms: Daconil, CHLOROTHALONIL, Bravo, Chloroalonil, Terraclactyl, Clortosip, Dacosoil, Exotherm, Nopcocide, Forturf, Repulse, Termil, Faber, Sweep, Exotherm termil, m-Tcpn, Clortocaf ramato, Daconil Flowable, meta-TCPN, Chlorothanonil

Molecular Formula: C8Cl4N2Molecular Weight: 265.911000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CRQQGFGUEAVUIL-UHFFFAOYSA-N

• 1,3,5-Tribromobenzene
IUPAC Name: 1,3,5-tribromobenzene | CAS Registry Number: 626-39-1
Synonyms: 1,3,5-TRIBROMOBENZENE, Benzene, 1,3,5-tribromo-, NCIOpen2_008123, 140066_ALDRICH, NSC62439, 90715_FLUKA, EINECS 210-947-3, NSC 62439, CID12279, AI3-15483, LS-32209, TL806114, ST5406609, InChI=1/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3

Molecular Formula: C6H3Br3Molecular Weight: 314.800020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: YWDUZLFWHVQCHY-UHFFFAOYSA-N

• 1,3-Dichloroacetone
IUPAC Name: 1,3-dichloropropan-2-one | CAS Registry Number: 534-07-6
Synonyms: s-Dichloroacetone, sym-Dichloroacetone, 1,3-Dichloropropanone, sGQDLHbqBRwSP@, Bis(chloromethyl) ketone, 2-Propanone, 1,3-dichloro-, Bis(chloromethyl)ketone, 1,3-Dichloro-2-propanone, Acetone, 1,3-dichloro, Ambap2889, BISCHLOROMETHYL KETONE, .alpha.,.alpha.'-Dichloroacetone, CCRIS 1942, 1,3-Dichloroacetona [Spanish], 1,3-Dichloroacetone solution, Dichloro-1,3 acetone [French], HSDB 6391, 168548_ALDRICH, NSC 8745, .alpha.,.gamma.-Dichloroacetone

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

InChIKey: SUNMBRGCANLOEG-UHFFFAOYSA-N

• 2,4,6-Tribromoaniline
IUPAC Name: 2,4,6-tribromoaniline | CAS Registry Number: 147-82-0
Synonyms: s-Tribromoaniline, Aniline tribromide, sym-Tribromoaniline, 2,4,6-TRIBROMOANILINE, Aniline, 2,4,6-tribromo-, Benzenamine, 2,4,6-tribromo-, TRIBROMOANILINE, 2,4,6-Tribromophenylamine, USAF DO-43, 2,4,6-Tribromobenzenamine, WLN: ZR BE DE FE, HSDB 2689, 163694_ALDRICH, NSC 2216, EINECS 205-700-1, NSC2216, AIDS019006, AIDS-019006, BRN 2209258, ZINC00262690

Molecular Formula: C6H4Br3NMolecular Weight: 329.814660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GVPODVKBTHCGFU-UHFFFAOYSA-N

• 2,6-Dichlorophenol
IUPAC Name: 2,6-dichlorophenol | CAS Registry Number: 87-65-0
Synonyms: 2,6-DICHLOROPHENOL, Phenol, 2,6-dichloro-, 2,6-Dichlorfenol, RCRA waste no. U082, RCRA waste number U082, 2,6-Dichlorfenol [Czech], WLN: QR BG FG, CCRIS 2511, D70201_ALDRICH, HSDB 4240, 35990_RIEDEL, 442325_SUPELCO, CHEBI:28457, EINECS 201-761-3, 2,6-DCP, 2,6-DCP, 2,6-Dichlorophenol, NSC 60647, 2,6-Dichlorophenol (2,6-DCP), NSC60647, BRN 1447806

Molecular Formula: C6H4Cl2OMolecular Weight: 163.001360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HOLHYSJJBXSLMV-UHFFFAOYSA-N

• 2 Amino Phenol 4 S.A.
IUPAC Name: 3-amino-4-hydroxybenzenesulfonic acid | CAS Registry Number: 98-37-3
Synonyms: 2-Amino-4-sulfophenol, 4-Hydroxymetanilic acid, 2-Hydroxy-5-sulfoaniline, o-Aminophenol-p-sulfonic acid, 2-Amino-1-phenol-4-sulfonic acid, 3-Amino-4-hydroxybenzenesulfonic acid, Metanilic acid, 4-hydroxy-, 2-AMINOPHENOL-4-SULFONIC ACID, CCRIS 4584, Benzenesulfonic acid, 3-amino-4-hydroxy-, 4-Hydroxy-3-aminobenzenesulfonic acid, NSC 1491, 09180_FLUKA, EINECS 202-662-8, NSC1491, AIDS020195, 3-Amino-4-hydroxybenzenesulphonic acid, AIDS-020195, Metanilic acid, 4-hydroxy- (8CI), AI3-14898

Molecular Formula: C6H7NO4SMolecular Weight: 189.189080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: ULUIMLJNTCECJU-UHFFFAOYSA-N

• 2-Aminopyridine
IUPAC Name: pyridin-2-amine | CAS Registry Number: 504-29-0
Synonyms: 2-Pyridinamine, 2-AMINOPYRIDINE, 2-Pyridylamine, o-Aminopyridine, 2-Aminopryidine, Aminopyridine, Pyridinamine, pyridin-2-amine, alpha-Pyridinamine, alpha-Pyridylamine, Amino-2 pyridine, Pyridine, amino-, 2-Pyridinylnitrene, alpha-Aminopyridine, 2-pyridinylamine, Pyridine, 2-amino-, .beta.-Pyridylamine, .alpha.-Pyridinamine, .alpha.-Pyridylamine, Pyridinamine (9CI)

Molecular Formula: C5H6N2Molecular Weight: 94.114540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ICSNLGPSRYBMBD-UHFFFAOYSA-N

• 2,2'-Dithiosalicylic Acid
IUPAC Name: 2-(2-carboxyphenyl)disulfanylbenzoic acid | CAS Registry Number: 119-80-2
Synonyms: Dithiosalicylic acid, 2,2'-Dithiodibenzoic acid, Bis(2-carboxyphenyl) disulfide, 2-Carboxyphenyl disulfide, Bis(o-carboxylphenyl) disulfide, Disulfide benzamide analog, Benzoic acid, 2,2'-dithiobis-, Bis(o-carboxyphenyl) disulfide, 2,2'-Dithiodi(benzoic acid), 2,2'-Dithiosalicylic acid, NSC213, 2,2'-Dithiobis(benzoic acid), MLS001216615, NSC 213, NSC5346, 2,2'-Dithiobis[benzoic acid], 389285_ALDRICH, NSC 5346, 43761_FLUKA, BENZOIC ACID, 2,2'-DITHIODI-

Molecular Formula: C14H10O4S2Molecular Weight: 306.356800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LBEMXJWGHIEXRA-UHFFFAOYSA-N

• 2,3,4-Trifluoronitrobenzene
IUPAC Name: 1,2,3-trifluoro-4-nitrobenzene | CAS Registry Number: 771-69-7
Synonyms: Ambap5910, 1,2,3-Trifluoro-4-nitrobenzene, 338362_ALDRICH, 4-Nitro-1,2,3-trifluorobenzene, ZINC01845704, CID69871, EINECS 212-238-4, Benzene, 1,2,3-trifluoro-4-nitro-, T135

Molecular Formula: C6H2F3NO2Molecular Weight: 177.080790 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ARCACZWMYGILNI-UHFFFAOYSA-N

• 2,3,4-Trihydroxybenzaldehyde
IUPAC Name: 2,3,4-trihydroxybenzaldehyde | CAS Registry Number: 2144-08-3
Synonyms: Benzaldehyde, 2,3,4-trihydroxy-, Pyrogallol-4-carboxaldehyde, 260843_ALDRICH, 91935_FLUKA, EINECS 218-404-2, NSC 22595, NSC22595, BRN 2328658, ZINC01595754, LS-25167, ST5411837, 3-08-00-03357 (Beilstein Handbook Reference), InChI=1/C7H6O4/c8-3-4-1-2-5(9)7(11)6(4)10/h1-3,9-11

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

InChIKey: CRPNQSVBEWWHIJ-UHFFFAOYSA-N

• 2,4-Dinitrochlorobenzene
IUPAC Name: 1-chloro-2,4-dinitrobenzene | CAS Registry Number: 97-00-7
Synonyms: Dinitrochlorobenzene, 1-chloro-2,4-dinitrobenzene, CDNB, DNCB, Dinitrochlorobenzol, Chlorodinitrobenzene, Caswell No. 389C, Benzene, 1-chloro-2,4-dinitro-, 2,4-Dinitrophenyl chloride, Dinitrochlorobenzene (VAN), 1,3-Dinitro-4-chlorobenzene, 2,4-Dinitro-1-chlorobenzene, 4-Chloro-1,3-dinitrobenzene, CID6, 1-Chlor-2,4-dinitrobenzol, WLN: WNR BG ENW, 1-Chlor-2,4-dinitrobenzene, 6-Chloro-1,3-dinitrobenzene, C6H3ClN2O4, CCRIS 1799

Molecular Formula: C6H3ClN2O4Molecular Weight: 202.552020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VYZAHLCBVHPDDF-UHFFFAOYSA-N

• 2,4,6-Trichlorophenol
IUPAC Name: 2,4,6-trichlorophenol | CAS Registry Number: 88-06-2
Synonyms: Phenachlor, Dowicide 2S, Phenaclor, 2,4,6-TRICHLOROPHENOL, OMAL, Dowcide 2S, Phenol, 2,4,6-trichloro-, 2,4,6-Trichlorfenol, RCRA waste no. U231, RCRA waste number U231, 1,3,5-Trichlorophenol, PS10_SUPELCO, 2,4,6-:trichlorophenol, CCRIS 605, WLN: QR BG DG FG, Trichlorophenol, 2,4,6-, NCI-C02904, 2,4,6-Trichlorfenol [Czech], T55301_ALDRICH, HSDB 4013

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

InChIKey: LINPIYWFGCPVIE-UHFFFAOYSA-N

• 2,4-Dichloro-5-Fluoro Acetophenone
IUPAC Name: 1-(2,4-dichloro-5-fluorophenyl)ethanone | CAS Registry Number: 704-10-9
Synonyms: Maybridge1_002348, DivK1c_001100, 2',4'-Dichloro-5'-fluoroacetophenone, 457345_ALDRICH, CDS1_000060, CID727250, ZINC00136315, D105, Acetophenone, 2',4'-dichloro-5'-fluoro-, ST5307327, TL8004969, SR-01000641018-1, InChI=1/C8H5Cl2FO/c1-4(12)5-2-8(11)7(10)3-6(5)9/h2-3H,1H

Molecular Formula: C8H5Cl2FOMolecular Weight: 207.029103 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FAKJFAMIABOKBW-UHFFFAOYSA-N

• 2,4-Dichloro Thiophenol
IUPAC Name: 2,4-dichlorobenzenethiol | CAS Registry Number: 1122-41-4
Synonyms: 2,4-Dichlorobenzenethiol, 2,4-Dichlorothiophenol, Benzenethiol, 2,4-dichloro-, 540862_ALDRICH, EINECS 214-346-7, CID70730, TL 00291, TL8006736

Molecular Formula: C6H4Cl2SMolecular Weight: 179.066960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FGBVJFREPSJSNG-UHFFFAOYSA-N

• 2,5-Dichloronitrobenzene
IUPAC Name: 1,4-dichloro-2-nitrobenzene | CAS Registry Number: 89-61-2
Synonyms: Nitro-p-dichlorobenzene, 2,5-DICHLORONITROBENZENE, 2,5-Dichloronitrobenzol, 1,4-Dichloro-2-nitrobenzene, 2,5-Dichlornitrobenzen, 1-Nitro-2,5-dichlorobenzene, Benzene, 1,4-dichloro-2-nitro-, Benzene, 2,5-dichloronitro-, WLN: WNR CG EG, CCRIS 3096, 2,5-Dichlornitrobenzen [Czech], 225371_ALDRICH, 36572_RIEDEL, 36040_FLUKA, EINECS 201-923-3, NSC6294, NSC 406125, BRN 0778109, NSC406125, ZINC01693389

Molecular Formula: C6H3Cl2NO2Molecular Weight: 191.999520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RZKKOBGFCAHLCZ-UHFFFAOYSA-N

• 2,6-Dimethyl Piperazine
IUPAC Name: 2,6-dimethylpiperazine | CAS Registry Number: 108-49-6
Synonyms: 2,6-Dimethylpiperazine, Piperazine, 2,6-dimethyl-, D179809_ALDRICH, Piperazine, 2,6-dimethyl-, cis-, NSC49197, EINECS 203-588-9, NSC 49197, TL8000282, InChI=1/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H

Molecular Formula: C6H14N2Molecular Weight: 114.188760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IFNWESYYDINUHV-UHFFFAOYSA-N

• 2-Acetyl Pyridine
IUPAC Name: 1-pyridin-2-ylethanone | CAS Registry Number: 1122-62-9
Synonyms: 2-ACETYLPYRIDINE, Acetylpyridine, 2-Acetopyridine, Ketone, methyl 2-pyridyl, Methyl 2-pyridyl ketone, 2-Pyridyl methyl ketone, Ethanone, 1-(2-pyridinyl)-, 1-(2-Pyridinyl)ethanone, 1-pyridin-2-ylethanone, 2-Acetylpyridine (natural), FEMA No. 3251, CCRIS 7784, A21002_ALDRICH, FEMA 3251, MLS002152864, W325104_ALDRICH, 61803_FLUKA, EINECS 214-355-6, NSC 15043, CID14286

Molecular Formula: C7H7NOMolecular Weight: 121.136580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AJKVQEKCUACUMD-UHFFFAOYSA-N

• 2-Amino-4-Nitrophenol
IUPAC Name: 2-amino-4-nitrophenol | CAS Registry Number: 99-57-0
Synonyms: p-Nitro-o-aminophenol, 2-AMINO-4-NITROPHENOL, ursol 4gl, 4-Nitro-2-aminophenol, 2-Hydroxy-5-nitroaniline, Rodol 42, Phenol, 2-amino-4-nitro-, 4-Nitro-2-aminofenol, p-Nitroaminofenol [Polish], 3-Amino-4-hydroxynitrobenzene, 2-Amino-4-nitro-phenol, WLN: ZR BQ ENW, CCRIS 890, NCI-C55958, 1-Nitro-3-amino-4-hydroxybenzene, 2-Amino-4-nitrofenol [Czech], 4-Nitro-2-aminofenol [Czech], A70402_ALDRICH, HSDB 4165, MLS000331524

Molecular Formula: C6H6N2O3Molecular Weight: 154.123440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: VLZVIIYRNMWPSN-UHFFFAOYSA-N

• 2-Amino-6-Methylsulphonyl Benzothiazole
IUPAC Name: 6-methylsulfonyl-1,3-benzothiazol-2-amine | CAS Registry Number: 17557-67-4
Synonyms: Maybridge1_008993, MixCom3_000185, Oprea1_366974, MLS000084909, 2-Aminobenzothiazole-6-methyl sulfone, EINECS 241-537-2, AIDS108382, 2-Aminobenzothiazolyl-6 methyl sulfone, 2-Benzothiazolamine, 6-(methylsulfonyl)-, 6-(Methylsulfonyl)-2-benzothiazolamine, 6-Methylsulphonylbenzothiazol-2-ylamine, AIDS-108382, 2-Amino-6-(methylsulfonyl)benzothiazole, ZINC00129448, SDCCGMLS-0054993.P002, 6-(Methylsulfonyl)benzothiazole-2-ylamine, LS-40631, SMR000019255, ST5194157, 6-(methylsulfonyl)-1,3-benzothiazol-2-amine

Molecular Formula: C8H8N2O2S2Molecular Weight: 228.291320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZYHNHJAMVNINSY-UHFFFAOYSA-N

• 2-Bromobutane
IUPAC Name: 2-bromobutane | CAS Registry Number: 78-76-2
Synonyms: Butane, 2-bromo-, 2-Butyl bromide, SEC-BUTYL BROMIDE, Methylethylbromomethane, sJPHAbILuP@, Secondary butyl bromide, CCRIS 106, B59500_ALDRICH, HSDB 2197, WLN: EY2&1, NSC 8417, 19690_FLUKA, EINECS 201-140-7, NSC8417, UN2339, BRN 0505949, AI3-25262, LS-45623, 2-Bromobutane [UN2339] [Flammable liquid], 2-Bromobutane [UN2339] [Flammable liquid]

Molecular Formula: C4H9BrMolecular Weight: 137.018260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UPSXAPQYNGXVBF-UHFFFAOYSA-N

• 2-Chloro-5-Nitrobenzoic Acid
IUPAC Name: 2-chloro-5-nitrobenzoic acid | CAS Registry Number: 2516-96-3
Synonyms: 2-CHLORO-5-NITROBENZOIC ACID, Benzoic acid, 2-chloro-5-nitro-, 6-Chloro-3-nitrobenzoic acid, 125113_ALDRICH, NSC8441, AIDS019398, BB_SC-2802, AIDS-019398, NSC 8441, EINECS 219-739-7, 2-CHLORO,5-NITRO-BENZOIC ACID, AI3-16578, TL8002047, InChI=1/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11

Molecular Formula: C7H4ClNO4Molecular Weight: 201.563960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QUEKGYQTRJVEQC-UHFFFAOYSA-N

• 2-Chlorobenzaldehyde
IUPAC Name: 2-chlorobenzaldehyde | CAS Registry Number: 89-98-5
Synonyms: Benzaldehyde, 2-chloro-, Benzaldehyde, o-chloro-, Chlorobenzaldehyde, 2-Chlorbenzaldehyd, 2-Clorobenzaldeide, o-Chloorbenzaldehyde, O-CHLOROBENZALDEHYDE, 2-Chloorbenzaldehyde, USAF M-7, o-Chlorobenzenecarboxaldehyde, WLN: VHR BG, 2-Chlorbenzaldehyd [German], o-Chloorbenzaldehyde [Dutch], 2-Chloorbenzaldehyde [Dutch], 2-Clorobenzaldeide [Italian], CCRIS 5991, HSDB 2727, Benzaldehyde, chloro- (9CI), 124974_ALDRICH, 23470_FLUKA

Molecular Formula: C7H5ClOMolecular Weight: 140.567000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FPYUJUBAXZAQNL-UHFFFAOYSA-N

• 2-Chloropyrazine
IUPAC Name: 2-chloropyrazine | CAS Registry Number: 14508-49-7
Synonyms: Chloropyrazine, Pyrazine, chloro-, pyrazine, 2-chloro-, Prestwick0_001087, Prestwick1_001087, Prestwick2_001087, Prestwick3_001087, BSPBio_001134, SPBio_003027, 132489_ALDRICH, BPBio1_001248, AIDS081850, AIDS-081850, EINECS 238-517-0, ZINC02008821, NCGC00016707-01, NCGC00016707-02, AC 15806, CAS-14508-49-7, AB00514039

Molecular Formula: C4H3ClN2Molecular Weight: 114.533020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GELVZYOEQVJIRR-UHFFFAOYSA-N

• 4-Chloro-2-Amino Benzoic Acid
IUPAC Name: 2-amino-4-chlorobenzoic acid | CAS Registry Number: 89-77-0
Synonyms: 4-Chloroanthranilic acid, 4-Chloroanthranil acid, 2-Amino-4-chlorobenzoic acid, 4-Chloro anthranilic acid, Benzoic acid, 2-amino-4-chloro-, A45467_ALDRICH, Anthranilic acid, 4-chloro-, 07353_FLUKA, EINECS 201-938-5, NSC17188, BRN 0743349, AI3-52450, LS-35696, Anthranilic acid, 4-chloro- (6CI,7CI,8CI), 2-AMINO-4-CHLOROBENZOIC ACID, TECH, ST5406310, TL8005783, A-5331, 4-14-00-01072 (Beilstein Handbook Reference), InChI=1/C7H6ClNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11

Molecular Formula: C7H6ClNO2Molecular Weight: 171.581040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JYYLQSCZISREGY-UHFFFAOYSA-N

• 5-Mercapto-1-Methyl-Ih-Tetrazole
IUPAC Name: 1-methyl-2H-tetrazole-5-thione | CAS Registry Number: 13183-79-4
Synonyms: N-Methyltetrazolethiol, 5-Mercapto-1-methyltetrazole, 1-Methyl-5-mercaptotetrazole, 1-Methyl-5-tetrazolethione, 1-Methyl-5-tetrazolinethione, 1-N-Methyl-5-thiotetrazole, 1-Methyl-1H-tetrazole-5-thiol, 1-Methyltetrazole-5-thiol, 1-Methyl-5-mercapto-1H-tetrazole, 1H-Tetrazole-5-thiol, 1-methyl-, 357871_ALDRICH, EINECS 236-132-2, NSC 520787, 1-Methyl-5-mercapto-1,2,3,4-tetrazole, NSC520787, ZINC03843103, ZINC04533852, 5H-Tetrazole-5-thione, 1,2-dihydro-1-methyl-, 1,2-Dihydro-1-methyl-5H-tetrazole-5-thione, LS-149189

Molecular Formula: C2H4N4SMolecular Weight: 116.144960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XOHZHMUQBFJTNH-UHFFFAOYSA-N

• 5-Methoxyindole-3-Aldehyde
IUPAC Name: 5-methoxy-1H-indole-3-carbaldehyde | CAS Registry Number: 10601-19-1
Synonyms: 3-Formyl-5-methoxyindole, Oprea1_121493, M14943_ALDRICH, 5-Methoxyindole-3-carboxaldehyde, MLS000575461, 5-Methoxyindole-3-carbaldehyde, ZERO/005117, NSC521754, CID82758, 5-Methoxy-1H-indole-3-carbaldehyde, EINECS 234-220-5, ZINC00286557, 1H-Indole-3-carboxaldehyde, 5-methoxy-, SMR000184711, TL8000226, M-3490

Molecular Formula: C10H9NO2Molecular Weight: 175.183960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: TUWARWGEOHQXCO-UHFFFAOYSA-N

• 1,2-Difluorobenzene
IUPAC Name: 1,2-difluorobenzene | CAS Registry Number: 367-11-3
Synonyms: o-Difluorobenzene, Benzene, o-difluoro-, 1,2-DIFLUOROBENZENE, Benzene, 1,2-difluoro-, 1,2-Difluorbenzol, ortho-Difluorobenzene, 126152_ALDRICH, 36890_FLUKA, CHEBI:38583, EINECS 206-680-7, NSC 10275, JRD-0336, NSC10275, BRN 1905113, ZINC00164418, AI3-52226, LS-29835, SB 00649, TL8002704, 4-05-00-00637 (Beilstein Handbook Reference)

Molecular Formula: C6H4F2Molecular Weight: 114.092766 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GOYDNIKZWGIXJT-UHFFFAOYSA-N

• 2,4-Difluorophenol
IUPAC Name: 2,4-difluorophenol | CAS Registry Number: 367-27-1
Synonyms: Phenol, 2,4-difluoro-, Ambap7451, 233269_ALDRICH, ZINC00164410, EINECS 206-688-0, CID123051, D132, TL806317, AI3-62833

Molecular Formula: C6H4F2OMolecular Weight: 130.092166 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NVWVWEWVLBKPSM-UHFFFAOYSA-N

• 4-Ethylguaiacol
IUPAC Name: 4-ethyl-2-methoxyphenol | CAS Registry Number: 2785-89-9
Synonyms: p-Ethylguaiacol, Homocresol, Guaiacyl ethane, 4-Ethyl-2-methoxyphenol, Guaiacol, 4-ethyl-, 2-Methoxy-4-ethylphenol, PHENOL, 4-ETHYL-2-METHOXY-, W243604_ALDRICH, 4-Hydroxy-3-methoxy ethylbenzene, FEMA No. 2436, 4-Hydroxy-3-methoxyethylbenzene, 4-Hydroxy-3-methoxyphenylethane, CID62465, NSC82313, 1-Hydroxy-2-methoxy-4-ethylbenzene, EINECS 220-500-4, CPD-10601, NSC 82313, SBB008068, ZINC01631205

Molecular Formula: C9H12O2Molecular Weight: 152.190380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CHWNEIVBYREQRF-UHFFFAOYSA-N

• 2-Ethyl-4-Methylthiazole
IUPAC Name: 2-ethyl-4-methyl-1,3-thiazole | CAS Registry Number: 15679-12-6
Synonyms: Thiazole, 2-ethyl-4-methyl-, 2-ETHYL-4-METHYLTHIAZOLE, W368008_ALDRICH, FEMA No. 3680, EINECS 239-757-9, ZINC00396075, InChI=1/C6H9NS/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H

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

InChIKey: VGRVKVGGUPOCMT-UHFFFAOYSA-N

• 2-Acetylthiazole
IUPAC Name: 1-(1,3-thiazol-2-yl)ethanone | CAS Registry Number: 24295-03-2
Synonyms: 1-thiazol-2-yl-ethanone, Ethanone, 1-(2-thiazolyl)-, W332801_ALDRICH, 288411_ALDRICH, 1-(1,3-Thiazol-2-yl)ethanone, ZINC00164484, 3,3'-DICARBOXYDIPHENYLMETHANE, NCGC00091718-01, SB 00889

Molecular Formula: C5H5NOSMolecular Weight: 127.164300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MOMFXATYAINJML-UHFFFAOYSA-N

• 2-Amino-4,6-dimethylpyrimidine
IUPAC Name: 4,6-dimethylpyrimidin-2-amine | CAS Registry Number: 767-15-7
Synonyms: Acetylacetoneguanidine, 4,6-Dimethyl-2-pyrimidinamine, 2-Pyrimidinamine, 4,6-dimethyl-, 2-AMINO-4,6-DIMETHYLPYRIMIDINE, 4,6-Dimethylpyrimidin-2-ylamine, Pyrimidine, 2-amino-4,6-dimethyl-, A52005_ALDRICH, ACETYLACETONE GUANIDINE, NSC 3278, 07850_FLUKA, EINECS 212-181-5, NSC3278, AIDS020788, AIDS-020788, SBB004275, ZINC00163774, AI3-08092, LS-134481, TL8005260, Pyrimidine, 2-amino-4,6-dimethyl- (8CI)

Molecular Formula: C6H9N3Molecular Weight: 123.155760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IDQNBVFPZMCDDN-UHFFFAOYSA-N

• 5-Aminoimidazole-4-Carboxamide HCL
IUPAC Name: 4-amino-1H-imidazole-5-carboxamide hydrochloride | CAS Registry Number: 72-40-2
Synonyms: AIC .cntdot. HCl, AICA, MLS000881124, 164968_ALDRICH, A8004_SIAL, 08220_FLUKA, EINECS 200-778-3, Aminoimidazolecarboxamide hydrochloride, NSC 113496, 4-Aminoimidazole-5-carboxamide hydrochoride, 4-Amino-5-imidazolecarboxamide hydrochloride, 5-Aminoimidazole-4-carboxamide hydrochloride, NSC113496, SBB003938, 5-Aminoimidazol-4-carboxamide, hydrochloride, AI3-26819, 5-Amino-4-imidazole carboxamide hydrochloride, LS-78158, SMR000685800, 4-AMINO-5-IMIDAZOLE CARBOXAMIDE HCL

Molecular Formula: C4H7ClN4OMolecular Weight: 162.577580 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: MXCUYSMIELHIQL-UHFFFAOYSA-N

• 2-Fluorobiphenyl
IUPAC Name: 1-fluoro-2-phenylbenzene | CAS Registry Number: 321-60-8
Synonyms: o-Fluorodiphenyl, ortho-Fluorodiphenyl, Biphenyl, 2-fluoro-, 2-Fluoro-1,1'-biphenyl, 1,1'-Biphenyl, 2-fluoro-, CCRIS 1659, 102741_ALDRICH, EINECS 206-290-7, NSC 10366, NSC10366, LS-44386, ST5406227

Molecular Formula: C12H9FMolecular Weight: 172.198263 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KLECYOQFQXJYBC-UHFFFAOYSA-N

• 2'-Hydroxyacetophenone
IUPAC Name: 1-(2-hydroxyphenyl)ethanone | CAS Registry Number: 118-93-4
Synonyms: 2-Acetylphenol, o-Acetylphenol, Acetophenone, 2'-hydroxy-, O-HYDROXYACETOPHENONE, Acetophenone, o-hydroxy-, 1-(2-Hydroxyphenyl)ethanone, Ethanone, 1-(2-hydroxyphenyl)-, USAF KE-20, o-Hydroxyphenyl methyl ketone, 2-Hydroxyphenyl methyl ketone, Methyl 2-hydroxyphenyl ketone, FEMA No. 3548, WLN: QR BV1, H18607_ALDRICH, ACETOPHENONE,2-HYDROXY, W354805_ALDRICH, 54150_FLUKA, EINECS 204-288-0, NSC9263, NSC 16933

Molecular Formula: C8H8O2Molecular Weight: 136.147920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JECYUBVRTQDVAT-UHFFFAOYSA-N

• 3-Amino-1,2-Propanediol
IUPAC Name: 3-aminopropane-1,2-diol | CAS Registry Number: 616-30-8
Synonyms: 1-Aminoglycerol, 3-Amino-1,2-propanediol, 1-Aminopropanediol, 2,3-Dihydroxypropylamine, 2,3-Propandiol-1-amine, 1-Amino-2,3-propanediol, 3-Aminopropane-1,2-diol, 1,2-Propanediol, 3-amino-, WLN: Z1YQ1Q, A76001_ALDRICH, ()-3-Amino-1,2-propanediol, 3-AMINO-12-PROPANEDIOL, EINECS 210-475-8, NSC 67381, AIDS018597, AIDS-018597, NSC67381, BRN 1719121, AI3-11002, LS-120131

Molecular Formula: C3H9NO2Molecular Weight: 91.109060 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: KQIGMPWTAHJUMN-UHFFFAOYSA-N

• 5-Bromo Indole
IUPAC Name: 5-bromo-1H-indole | CAS Registry Number: 10075-50-0
Synonyms: 5-BROMOINDOLE, 1H-Indole, 5-bromo-, Maybridge1_006195, NCIOpen2_000472, B68607_ALDRICH, NSC75581, 1H-Indole, 5-bromo- (9CI), CID24905, EINECS 233-208-7, NSC 75581, ZINC00081120, B2310G25, ST5330596, TL80073616, B-8420, B-8424, SR-01000632498-1, InChI=1/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10

Molecular Formula: C8H6BrNMolecular Weight: 196.043940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VXWVFZFZYXOBTA-UHFFFAOYSA-N

• 2-(3-Nitrophenylsulfonyl)ethanol
IUPAC Name: 2-(3-nitrophenyl)sulfonylethanol | CAS Registry Number: 41687-30-3
Synonyms: 360678_ALDRICH, MolPort-003-930-884, ZINC00056788, EINECS 255-501-9, 2-((3-Nitrophenyl)sulphonyl)ethanol, CID170561, Ethanol, 2-((3-nitrophenyl)sulfonyl)-, LT00452141

Molecular Formula: C8H9NO5SMolecular Weight: 231.225760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: VMORQDKKMBAQPJ-UHFFFAOYSA-N

• (1S,2S)-(+)-2-Amino-1-Phenyl-1,3-Propanediol
IUPAC Name: (1S,2S)-2-amino-1-phenylpropane-1,3-diol | CAS Registry Number: 28143-91-1
Synonyms: Ambap5865, 186546_ALDRICH, EINECS 248-867-6, EINECS 256-250-8, CID119881, L-()-threo-2-Amino-1-phenyl-1,3-propanediol, (1S,2S)-()-2-Amino-1-phenyl-1,3-propanediol, (S(R*,R*))-2-Amino-1-phenylpropane-1,3-diol

Molecular Formula: C9H13NO2Molecular Weight: 167.205020 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: JUCGVCVPNPBJIG-IUCAKERBSA-N

• 1,4-Dioxane
IUPAC Name: 1,4-dioxane | CAS Registry Number: 123-91-1
Synonyms: p-Dioxane, Dioxane, Dioxan, Diethylene ether, 1,4-DIOXANE, Diethylene oxide, Diokan, Di(ethylene oxide), Tetrahydro-p-dioxin, Diethylene dioxide, para-Dioxane, Dioxyethylene ether, 1,4-Diethylene dioxide, Dioxane-1,4, Dioxanne, Glycolethylenether, Dioksan, Glycol ethylene ether, Diox, :dioxane

Molecular Formula: C4H8O2Molecular Weight: 88.105120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RYHBNJHYFVUHQT-UHFFFAOYSA-N

• 1 5-Dibromo Pentane
IUPAC Name: 1,5-dibromopentane | CAS Registry Number: 111-24-0
Synonyms: Pentamethylene bromide, Pentane, 1,5-dibromo-, 1,5-DIBROMOPENTANE, Pentamethylene dibromide, 128007_ALDRICH, NSC 5373, EINECS 203-849-7, CID8100, NSC5373, BRN 1209245, AI3-20307, LS-101616, 4-01-00-00314 (Beilstein Handbook Reference), InChI=1/C5H10Br2/c6-4-2-1-3-5-7/h1-5H

Molecular Formula: C5H10Br2Molecular Weight: 229.940900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: IBODDUNKEPPBKW-UHFFFAOYSA-N

• 1,2,3-Trimethoxy Benzene
IUPAC Name: 1,2,3-trimethoxybenzene | CAS Registry Number: 634-36-6
Synonyms: Methylsyringol, Tri-O-methylpyrogallol, Pyrogallol trimethyl ether, 1,2,3-TRIMETHOXYBENZENE, Methylsyringol (VAN), Benzene, 1,2,3-trimethoxy-, 137995_ALDRICH, 92159_FLUKA, CID12462, NSC10124, EINECS 211-207-2, NSC 10124, ZINC00152503, AI3-02077, ST5406631, TL8004419

Molecular Formula: C9H12O3Molecular Weight: 168.189780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: CRUILBNAQILVHZ-UHFFFAOYSA-N

• 1,2-Dibromoethane
IUPAC Name: 1,2-dibromoethane | CAS Registry Number: 106-93-4
Synonyms: Ethylene bromide, sym-Dibromoethane, Aadibroom, Bromofume, Sanhyuum, Soilbrom, Soilfume, Celmide, Edabrom, Kopfume, Unifume, Nephis, Nefis, ETHYLENE DIBROMIDE, Glycol Dibromide, Iscobrome D, Fumo-gas, Dibromoethylene, Pestmaster, dibromoet hane

Molecular Formula: C2H4Br2Molecular Weight: 187.861160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: PAAZPARNPHGIKF-UHFFFAOYSA-N

• 1,4-Di(Trifluoromethyl)Benzene
IUPAC Name: 1,4-bis(trifluoromethyl)benzene | CAS Registry Number: 433-19-2
Synonyms: Hexafluoro-p-xylene, 1,4-Bis(trifluoromethyl)benzene, p-Bis(trifluoromethyl)benzene, Benzene, 1,4-bis(trifluoromethyl)-, 290912_ALDRICH, 1,4-Bis(trifluoromethyl)-benzene, NSC61992, EINECS 207-086-0, NSC 61992, B104, ST5307029, TL8003048, p-Xylene, .alpha.,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-hexafluoro-, alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-p-xylene, p-Xylene, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro- (8CI), .alpha.,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-Hexafluoro-p-xylene, InChI=1/C8H4F6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4

Molecular Formula: C8H4F6Molecular Weight: 214.107779 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: PDCBZHHORLHNCZ-UHFFFAOYSA-N

• 17-Beta-Diol
IUPAC Name: (3S,8R,9S,10R,13S,14S,17S)-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol | CAS Registry Number: 19793-20-5
Synonyms: Estren, DEMETRIC ACID, CID9835303, (3beta,17beta)-estr-4-ene-3,17-diol

Molecular Formula: C18H28O2Molecular Weight: 276.413720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CMXKUJNZWYTFJN-XFUVECHXSA-N

• 1-Bromo 3 4 5-Trifluoro Benzene
IUPAC Name: 5-bromo-1,2,3-trifluorobenzene | CAS Registry Number: 138526-69-9
Synonyms: 1-Bromo-3,4,5-trifluorobenzene, 5-Bromo-1,2,3-trifluorobenzene, 330841_ALDRICH, JRD-0167, ST5405271, TL8000876, InChI=1/C6H2BrF3/c7-3-1-4(8)6(10)5(9)2-3/h1-2

Molecular Formula: C6H2BrF3Molecular Weight: 210.979290 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HKJCELUUIFFSIN-UHFFFAOYSA-N

• 1-Bromo-3-(Methylthio)Benzene
IUPAC Name: 1-bromo-2-methylsulfanylbenzene | CAS Registry Number: 33733-73-2
Synonyms: 2-Bromothioanisole, 3-Bromo-thioanisole, o-Bromo(methylthio)benzene, 2-Bromophenyl methyl sulfide, Benzene, 1-bromo-2-(methylthio)-, 260851_ALDRICH, EINECS 243-183-4, SBB006566, TF1047, ZINC00409185, 19614-16-5, InChI=1/C7H7BrS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H

Molecular Formula: C7H7BrSMolecular Weight: 203.099480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ALAQDUSTXPEHMH-UHFFFAOYSA-N

• 1-Methylthio-1-Methylamino-2-Nitroethylene
IUPAC Name: (E)-N-methyl-1-methylsulfanyl-2-nitroethenamine | CAS Registry Number: 61832-41-5
Synonyms: Ambap7826, EINECS 263-266-9, Ethenamine, N-methyl-1-(methylthio)-2-nitro-, N-Methyl-1-methylthio-2-nitro-1-etheneamine, N-Methyl-1-(methylthio)-2-nitrovinylamine, 1-Methylamino-1-methylthio-2-nitroethylene, 1-Methylthio-1-methylamino-2-nitroethylene, TL8003953

Molecular Formula: C4H8N2O2SMolecular Weight: 148.183520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YQFHPXZGXNYYLD-ONEGZZNKSA-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

• 2 4-Dichloro-5-Sulphamoyl Benzoic Acid
IUPAC Name: 2,4-dichloro-5-sulfamoylbenzoic acid | CAS Registry Number: 2736-23-4
Synonyms: LeadQuest Compound 9, 2,4-Dichloro-5-sulfamoylbenzoic acid, Oprea1_168593, Oprea1_483230, 147397_ALDRICH, EINECS 220-358-3, ZERO/002615, 3-Sulfamoyl-4,6-dichlorobenzoic acid, 2,4-Dichloro-5-sulphamoylbenzoic acid, BRN 2219046, 5-(Aminosulfonyl)-2,4-dichlorobenzoic acid, 5-Aminosulfonyl-2,4-dichlorobenzoic acid, 5-Carboxy-2,4-dichlorobenzenesulfonamide, FR-0558, Benzoic acid, 5-(aminosulfonyl)-2,4-dichloro-, LS-36908, TL8002204, BENZOIC ACID, 2,4-DICHLORO-5-SULFAMOYL-, 83162-87-2, InChI=1/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14

Molecular Formula: C7H5Cl2NO4SMolecular Weight: 270.089900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ZSHHRBYVHTVRFK-UHFFFAOYSA-N


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