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• 2,3,4,5,6-Pentafluorostyrene
IUPAC Name: 1-ethenyl-2,3,4,5,6-pentafluorobenzene | CAS Registry Number: 653-34-9
Synonyms: Pentafluorostyrene, Benzene, ethenylpentafluoro-, 196916_ALDRICH, NSC97009, 76765_FLUKA, CID69556, EINECS 211-500-5, TL8004641, 3S105262, 3S210867

Molecular Formula: C8H3F5Molecular Weight: 194.101436 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: LVJZCPNIJXVIAT-UHFFFAOYSA-N

• 1-Amino-2,4-Dibromoanthraquinone
IUPAC Name: 1-amino-2,4-dibromoanthracene-9,10-dione | CAS Registry Number: 81-49-2
Synonyms: Dibromoaminoanthraquinone, ADBAQ, 2,4-Dibromo-1-anthraquinonylamine, Anthraquinone, 1-amino-2,4-dibromo-, CCRIS 5884, NCI-C55458, 1-Amino-2,4-dibromanthrachinon, HSDB 5241, 1-AMINO-2,4-DIBROMOANTHRAQUINONE, 2-Amino-4-chloro-5-nitrophenol, NSC 3529, EINECS 201-354-0, CID6681, NSC3529, 9,10-Anthracenedione, 1-amino-2,4-dibromo-, BB_NC-0799, LS-74, 1-Amino-2,4-dibromo-anthraquinone, BRN 1993373, STK803590

Molecular Formula: C14H7Br2NO2Molecular Weight: 381.018880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZINRVIQBCHAZMM-UHFFFAOYSA-N

• 2-Furaldehyde Diethyl Acetal
IUPAC Name: 2-(diethoxymethyl)furan | CAS Registry Number: 13529-27-6
Synonyms: Furfural diethyl acetal, 2-Furaldehyde diethyl acetal, Furan, 2-(diethoxymethyl)-, 2-(Diethoxymethyl)furan, 2-(diethoxymethyl)-furan, 2-Furaldehyde-diethylacetal, 193011_ALDRICH, CID83553, EINECS 236-872-6, ZINC00406959, TL8007039, C14280

Molecular Formula: C9H14O3Molecular Weight: 170.205660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SEILDMUKBMYIEZ-UHFFFAOYSA-N

• 1,1-Dimethoxy-2-(2-Methoxyethoxy)ethane
IUPAC Name: 1,1-dimethoxy-2-(2-methoxyethoxy)ethane | CAS Registry Number: 94158-44-8
Synonyms: EINECS 303-115-7, CID56738, 1,1-DIMETHOXY-2-(2-METHOXYETHOXY)ETHANE

Molecular Formula: C7H16O4Molecular Weight: 164.199540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JPOUJDLGAPEXAN-UHFFFAOYSA-N

• 1 4-Butenediol [2]
IUPAC Name: (Z)-but-2-ene-1,4-diol | CAS Registry Number: 6117-80-2
Synonyms: Butenediol, 1,4-Butenediol, sGP`ATeVf`bP, 2-Buten-1,4-diol, 2-Butene-1,4-diol, (Z)-2-Butene-1,4-diol, cis-2-Butene-1,4-Diol, 2-Butene-1,4-diol, (Z)-, NSC976, (2Z)-but-2-ene-1,4-diol, 19150_FLUKA, 1,4-DIHYDROXY-2-BUTENE, NSC1260, 2-butene-1,4-diol, (2Z)-, EINECS 228-085-1, ZINC05225095, 2-BUTENE-1,4-DIOL (CIS), InChI=1/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1, 110-64-5

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

InChIKey: ORTVZLZNOYNASJ-UPHRSURJSA-N

• 1,3-Dibromo-5,5-dimethylhydantoin
IUPAC Name: 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione | CAS Registry Number: 77-48-5
Synonyms: Dibromantin, Dibromantine, Take Charge Orange, TakeCharge Orange, Ambap4436, N,N'-Dibromodimethylhydantoin, 5,5-Dimethyl-1,3-dibromohydantoin, 157902_ALDRICH, NSC33305, EINECS 201-030-9, CID6479, NSC 33305, AIDS057296, EPA Pesticide Chemical Code 006317, AIDS-057296, BRN 0146024, ZINC01665566, AI3-23671, HYDANTOIN, 1,3-DIBROMO-5,5-DIMETHYL-, 2,4-Imidazolidinedione, 1,3-dibromo-5,5-dimethyl-

Molecular Formula: C5H6Br2N2O2Molecular Weight: 285.921340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VRLDVERQJMEPIF-UHFFFAOYSA-N

• 1-Acetyl-4-(4-Hydroxyphenyl)-Piperazine
IUPAC Name: 1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone | CAS Registry Number: 67914-60-7
Synonyms: Oprea1_786576, 511943_ALDRICH, 1-Acetyl-4-(4-hydroxyphenyl)piperazine, ZINC00105363, EINECS 267-744-8, CID712441, SBB003353, SDCCGMLS-0066236.P001, TL8004782

Molecular Formula: C12H16N2O2Molecular Weight: 220.267640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AGVNLFCRZULMKK-UHFFFAOYSA-N

• 1-Bromobutane
IUPAC Name: 1-bromobutane | CAS Registry Number: 109-65-9
Synonyms: Butyl bromide, Butane, 1-bromo-, n-Butylbromide, Bromobutane, N-BUTYL BROMIDE, 1-Butyl bromide, Butane, bromo-, sJPHAbIJuP@, 1-BROMO-BUTANE, CCRIS 831, HSDB 2195, 08953_FLUKA, 19681_FLUKA, B59497_SIAL, EINECS 203-691-9, UN1126, AI3-15308, LS-45622, TL8000306, 1-Bromobutane [UN1126] [Flammable liquid]

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

InChIKey: MPPPKRYCTPRNTB-UHFFFAOYSA-N

• 1-Chloro-4-Nitrobenzene-2-Sulphonic Acid
IUPAC Name: 2-chloro-5-nitrobenzenesulfonic acid | CAS Registry Number: 96-73-1
Synonyms: NSC5375, 2-Chloro-5-nitrobenzenesulfonic acid, CID7310, NSC 5375, EINECS 202-528-9, 2-Chloro-5-nitrobenzenesulphonic acid, Benzenesulfonic acid, 2-chloro-5-nitro-, 2-CHLORO-5-NITROBENZENE SULFONIC ACID, AI3-08898

Molecular Formula: C6H4ClNO5SMolecular Weight: 237.617660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: GNTARUIZNIWBCN-UHFFFAOYSA-N

• 2,3,6-Trimethylphenol
IUPAC Name: 2,3,6-trimethylphenol | CAS Registry Number: 2416-94-6
Synonyms: 2,3,6-TRIMETHYLPHENOL, 3-Hydroxypseudocumene, Phenol, 2,3,6-trimethyl-, Ambap1477, 1-Hydroxy-2,3,6-trimethylbenzene, T78700_ALDRICH, HSDB 5876, W396303_ALDRICH, 92693_FLUKA, EINECS 219-330-3, 2,3,6-TRIMETHYL PHENOL, NSC 91509, NSC91509, ZINC01592406, LS-184924, InChI=1/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H, 50356-13-3

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

InChIKey: QQOMQLYQAXGHSU-UHFFFAOYSA-N

• 2,4-Dichlorobenzotrifluoride
IUPAC Name: 1,4-dichloro-2-(trifluoromethyl)benzene | CAS Registry Number: 320-60-5
Synonyms: 2,5-Dichlorobenzotrifluoride, 246069_ALDRICH, NSC60712, EINECS 206-276-0, Benzene, 1,4-dichloro-2-(trifluoromethyl)-, CID35360, 1,4-Dichloro-2-(trifluoromethyl)benzene, LS-29823, ST5405472, 2,5-Dichloro-alpha,alpha,alpha-trifluorotoluene, Toluene, 2,5-dichloro-alpha,alpha,alpha-trifluoro- (6CI,7CI,8CI), 320-50-3

Molecular Formula: C7H3Cl2F3Molecular Weight: 214.999930 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DYBYUWVMLBBEMA-UHFFFAOYSA-N

• 2 5-Dimethyl Hexane-2 5-Diol
IUPAC Name: 2,5-dimethylhexane-2,5-diol | CAS Registry Number: 110-03-2
Synonyms: Dimethylhexanediol, 2,5-Hexanediol, 2,5-dimethyl-, 2,5-Dimethylhexanediol, 2,5-Dimethylhexane-2,5-diol, MLS001055396, 2,5-DIMETHYL-2,5-HEXANEDIOL, 1,1,4,4-Tetramethyl-1,4-butanediol, 143618_ALDRICH, HSDB 5395, NSC5595, NSC 5595, EINECS 203-731-5, ZINC02504411, NCGC00090935-01, SMR000677933, 2,5-DIHYDROXY-2,5-DIMETHYLHEXANE, AI3-20685

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

InChIKey: ZWNMRZQYWRLGMM-UHFFFAOYSA-N

• 2,3,4-Trifluoroaniline
IUPAC Name: 2,3,4-trifluoroaniline | CAS Registry Number: 3862-73-5
Synonyms: 2,3,4-Trifluoranilin, Aniline, 2,3,4-trifluoro-, Benzenamine, 2,3,4-trifluoro-, 304352_ALDRICH, 2,3,4-Trifluoranilin [Danish], 2,3,4-Trifluoranilin [German], 2,3,4-Trifluoraniline [Dutch], 2,3,4-Trifluoroaniline [French], 2,3,4-Trifluoroanilina [Italian], 2,3,4-Trifluoroanilina [Spanish], JRD-0607, BRN 3245609, SBB012347, ZINC00164526, 2,3,4-Trifluoroanilina [Portuguese], LS-28441, EE4071709, TL8002814, 4-12-00-01114 (Beilstein Handbook Reference), 3S211006

Molecular Formula: C6H4F3NMolecular Weight: 147.097870 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WRDGNXCXTDDYBZ-UHFFFAOYSA-N

• 2,3,5-Trimethylpyridine
IUPAC Name: 2,3,5-trimethylpyridine | CAS Registry Number: 695-98-7
Synonyms: 2,3,5-COLLIDINE, Pyridine, 2,3,5-trimethyl-, 513261_ALDRICH, ZINC02031394, CID12759, EINECS 211-786-1, TL8004882

Molecular Formula: C8H11NMolecular Weight: 121.179640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GFYHSKONPJXCDE-UHFFFAOYSA-N

• 2-Mercapto-3-Butanol
IUPAC Name: 3-sulfanylbutan-2-ol | CAS Registry Number: 37887-04-0
Synonyms: 2-Mercapto-3-butanol, 3-Mercapto-2-butanol, 2-Hydroxy-3-butanethiol, 3-Hydroxy-2-butanethiol, 2-Butanol, 3-mercapto-, W350206_ALDRICH, FEMA No. 3502, 264792_ALDRICH, (R*,S*)-3-Mercaptobutan-2-ol, EINECS 253-701-0, 2-Butanol, 3-mercapto-, (theta,S)-, 3-Mercapto-2-butanol, mixture of isomers, LS-179775, 54812-86-1

Molecular Formula: C4H10OSMolecular Weight: 106.186600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MJQWABQELVFQJL-UHFFFAOYSA-N

• 2-Chloro-5-Nitroaniline
IUPAC Name: 2-chloro-5-nitroaniline | CAS Registry Number: 6283-25-6
Synonyms: 6-Chloro-3-nitroaniline, Aniline, 2-chloro-5-nitro-, Benzenamine, 2-chloro-5-nitro-, 2-CHLORO-5-NITROANILINE, 2-Chloro-5-nitrobenzenamine, WLN: ZR BG ENW, Aniline, 6-chloro-3-nitro-, C58150_ALDRICH, HSDB 6086, NSC7791, NSC 7791, EINECS 228-498-7, 2-Amino-1-chloro-4-nitrobenzene, CID22691, BRN 2208878, SBB003829, ZINC01688375, LS-19666, 3-12-00-01661 (Beilstein Handbook Reference), InChI=1/C6H5ClN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H

Molecular Formula: C6H5ClN2O2Molecular Weight: 172.569100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KWIXNFOTNVKIGM-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

• (R)-(+)-4-Hydroxy-2-Pyrrolidinone
IUPAC Name: (4R)-4-hydroxypyrrolidin-2-one | CAS Registry Number: 22677-21-0
Synonyms: 479160_ALDRICH, (R)-beta-Hydroxy-gamma-butyrolactam, (R)-()-4-Hydroxy-2-pyrrolidinone, (R)-(+)-4-Hydroxy-2-pyrrolidinone, TL8001902

Molecular Formula: C4H7NO2Molecular Weight: 101.103880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IOGISYQVOGVIEU-GSVOUGTGSA-N

• 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

• 2,6-Dimethyl Pyrazine
IUPAC Name: 2,6-dimethylpyrazine | CAS Registry Number: 108-50-9
Synonyms: 2,6-Dimethylpiazine, 3,5-Dimethylpyrazine, 2,6-DIMETHYLPYRAZINE, Pyrazine, 2,6-dimethyl-, 2,6-Dimethylparadiazine, 2,6-Dimethyl-1,4-diazine, FEMA No. 3273, CCRIS 2930, 2,6-Dimethylpyrazine (natural), D181803_ALDRICH, W327301_ALDRICH, EINECS 203-589-4, ZINC00404377, LS-2695, InChI=1/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H

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

InChIKey: HJFZAYHYIWGLNL-UHFFFAOYSA-N

• 2-(1-Naphthyl) Acetamide
IUPAC Name: 2-naphthalen-1-ylacetamide | CAS Registry Number: 86-86-2
Synonyms: Rootone, Frufix, Amid-Thin, Dirigol N, 1-Naphthylacetamide, Amid-Thin W, NAAm, Fruitone, Rosetone, Naamide, alpha-NAA amide, Naphthaleneacetamide, 1-NAPHTHALENEACETAMIDE, alpha-Naphthylacetamide, Caswell No. 588, Naphthalene acetamide, 1-Naphthalene acetamide, 2-(1-Naphthyl)acetamide, 1-Naphthyl-acetamide, alpha-Naphthaleneacetamide

Molecular Formula: C12H11NOMolecular Weight: 185.221840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XFNJVKMNNVCYEK-UHFFFAOYSA-N

• 2-Chloro-4-Fluoro Benzoic Acid
IUPAC Name: 2-chloro-4-fluorobenzoic acid | CAS Registry Number: 2252-51-9
Synonyms: 2-Chloro-4-fluorobenzoic acid, 297836_ALDRICH, Benzoic acid, 2-chloro-4-fluoro-, 2-chloro-4-fluor obenzoic acid, JRD-0875, EINECS 218-845-0, SBB003795, TL806106, InChI=1/C7H4ClFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11

Molecular Formula: C7H4ClFO2Molecular Weight: 174.556863 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GRPWQLDSGNZEQE-UHFFFAOYSA-N

• 2-Chloro-4-NitroBenzoic Acid
IUPAC Name: 2-chloro-4-nitrobenzoic acid | CAS Registry Number: 99-60-5
Synonyms: 2-CHLORO-4-NITROBENZOIC ACID, WLN: WNR CG DVQ, Benzoic acid, 2-chloro-4-nitro-, NSC150, C59602_ALDRICH, NSC 150, 25410_FLUKA, EINECS 202-771-0, AIDS019397, Kyselina 2-chloro-4-nitrobenzoova, AIDS-019397, BRN 1912836, SBB000403, AI3-33426, Kyselina 2-chloro-4-nitrobenzoova [Czech], LS-36571, TL80073611, 4-09-00-01229 (Beilstein Handbook Reference), InChI=1/C7H4ClNO4/c8-6-3-4(9(12)13)1-2-5(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: QAYNSPOKTRVZRC-UHFFFAOYSA-N

• 2-Chloro-6-Fluoro Toluene
IUPAC Name: 1-chloro-3-fluoro-2-methylbenzene | CAS Registry Number: 443-83-4
Synonyms: 2-Chloro-6-fluorotoluene, 1-Chloro-3-fluoro-2-methylbenzene, 141224_ALDRICH, 2-FLUORO-6-CHLOROTOLUENE, Benzene, 1-chloro-3-fluoro-2-methyl-, CID9933, ZINC00164391, EINECS 207-141-9, C110

Molecular Formula: C7H6ClFMolecular Weight: 144.573943 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FNPVYRJTBXHIPB-UHFFFAOYSA-N

• 2-Ethoxy Pyrazine
IUPAC Name: 3-ethoxypyridazine | CAS Registry Number: 38028-67-0
Synonyms: Ethoxypyrazine, 2-Ethoxypyrazine, Pyrazine, ethoxy-, EINECS 253-750-8, CID520878

Molecular Formula: C6H8N2OMolecular Weight: 124.140520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZVVWBPYZGKHHSR-UHFFFAOYSA-N

• 2-Hydroxy-5-Methyl Acetophenone
IUPAC Name: 1-(2-hydroxy-5-methylphenyl)ethanone | CAS Registry Number: 1450-72-2
Synonyms: o-Acetyl-p-cresol, 1-Hydroxy-2-acetyl-4-methylbenzene, 2-Hydroxy-5-methylacetophenone, NCIOpen2_000252, 2-ACETYL-4-METHYLPHENOL, H37601_ALDRICH, 2'-Hydroxy-5'-methylacetophenone, Ethanone, 1-(2-hydroxy-5-methylphenyl)-, NSC26458, NSC63363, EINECS 215-915-2, ZINC00088245, Acetophenone, 2'-hydroxy-5'-methyl-, SDCCGMLS-0065880.P001, A2494/0106055, InChI=1/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H

Molecular Formula: C9H10O2Molecular Weight: 150.174500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YNPDFBFVMJNGKZ-UHFFFAOYSA-N

• 2-Methoxy-3-Methyl Pyrazine
IUPAC Name: 2-methoxy-3-methylpyrazine | CAS Registry Number: 2847-30-5
Synonyms: (Methoxy)methylpyrazine, 2-METHOXY-3-METHYLPYRAZINE, Pyrazine, 2-methoxy-3-methyl-, 2-Methoxy-6-methylpyrazine, 2-Methyl-3-methoxypyrazine, 5-Methoxy-3-methylpyrazine, W318302_ALDRICH, FEMA No. 3183, 297941_ALDRICH, Pyrazine, 2-methoxy-6-methyl-, 2-Methoxy-3(or5)-methylpyrazine, EINECS 220-651-6, EINECS 220-737-3, EINECS 269-881-9, ZINC00405269, Pyrazine, 2-methoxy-3(or 5)-methyl-, ST5411503, 2- (5 or 6)-Methoxy-3-methylpyrazine (mixture of isomers), 2882-21-5, 63450-30-6

Molecular Formula: C6H8N2OMolecular Weight: 124.140520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VKJIAEQRKBQLLA-UHFFFAOYSA-N

• 2-Methyleneglutaronitrile
IUPAC Name: 2-methylidenepentanedinitrile | CAS Registry Number: 1572-52-7
Synonyms: Methylene glutaronitrile, Pentanedinitrile, 2-methylene-, 2-Methylenepentanedinitrile, Glutaronitrile, 2-methylene-, 125547_ALDRICH, EINECS 216-391-8, CID74080, LS-195310, InChI=1/C6H6N2/c1-6(5-8)3-2-4-7/h1-3H

Molecular Formula: C6H6N2Molecular Weight: 106.125240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NGCJVMZXRCLPRQ-UHFFFAOYSA-N

• 2,6-Dichloro Benzene Sulfonyl Chloride
IUPAC Name: 2,6-dichlorobenzenesulfonyl chloride | CAS Registry Number: 6579-54-0
Synonyms: 2,6-Dichlorobenzenesulfonyl chloride, 2,6-dichlorobenzene-1-sulfonyl chloride, 2,6-Dichlorobenzenesulfonylchloride, 2,6-Dichlorobenzenesulphonyl chloride, SBB055016, 2,6-dichloro-benzenesulfonyl chloride, 2,6-dichlorobenzene sulfonyl chloride, AG-G-47675, PubChem5117, AC1LAWLQ, ACMC-209ns8, DSSTox_CID_29303, DSSTox_RID_83421, DSSTox_GSID_49346, KSC491C3R, 545708_ALDRICH, AC1Q3K70, CTK3J1138, (2,6-dichlorophenyl)chlorosulfone, BUTTPARK 37\11-63

Molecular Formula: C6H3Cl3O2SMolecular Weight: 245.510820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WGGKQIKICKLWGN-UHFFFAOYSA-N

• 4-Hydroxyindole
IUPAC Name: 1H-indol-4-ol | CAS Registry Number: 2380-94-1
Synonyms: Hydroxyindole, 4-Indolol, 1H-Indol-4-ol, 4-hydroxyindole, 18, 219878_ALDRICH, EINECS 219-177-2, ZINC00153008, F2313G1, SDCCGMLS-0065859.P001, ST5330636, TL8001968, C02040, H-6000, H-6010

Molecular Formula: C8H7NOMolecular Weight: 133.147280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NLMQHXUGJIAKTH-UHFFFAOYSA-N

• 4-Chloro-2-Aminobenzonitrile
IUPAC Name: 2-amino-4-chlorobenzonitrile | CAS Registry Number: 38487-86-4
Synonyms: 5-Chloro-2-cyanoaniline, 2-Amino-4-chlorobenzonitrile, 4-Chloroanthranilonitrile, Benzonitrile, 2-amino-4-chloro-, 405280_ALDRICH, EINECS 253-967-8, ZINC00395567, InChI=1/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H

Molecular Formula: C7H5ClN2Molecular Weight: 152.581000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UZHALXIAWJOLLR-UHFFFAOYSA-N

• 5-Cyanoindole
IUPAC Name: 1H-indole-5-carbonitrile | CAS Registry Number: 15861-24-2
Synonyms: 1H-Indole-5-carbonitrile, INDOLE-5-CARBONITRILE, C92006_ALDRICH, EINECS 239-986-4, SBB004148, ZINC00157017, LS-82429, TL8001198, C-8840, InChI=1/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11

Molecular Formula: C9H6N2Molecular Weight: 142.157340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YHYLDEVWYOFIJK-UHFFFAOYSA-N

• 5-Nitroindole
IUPAC Name: 5-nitro-1H-indole | CAS Registry Number: 6146-52-7
Synonyms: 5-Nitro-1H-indole, 1H-Indole, 5-nitro-, INDOLE, 5-NITRO-, CCRIS 3255, Oprea1_492280, N17602_ALDRICH, EINECS 228-153-0, 1H-Indole, 5-nitro- (9CI), NSC520594, ZINC00105247, LS-83315, SB 01605, ST5406179, TL8003894, N-3000

Molecular Formula: C8H6N2O2Molecular Weight: 162.145440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OZFPSOBLQZPIAV-UHFFFAOYSA-N

• 3-Chloro Fluoro Benzene
IUPAC Name: 1-chloro-3-fluorobenzene | CAS Registry Number: 625-98-9
Synonyms: m-Chlorofluorobenzene, 1-Chloro-3-fluorobenzene, m-Fluorochlorobenzene, 3-Chlorofluorobenzene, Benzene, 1-chloro-3-fluoro-, Ambap5734, 1-Fluoro-3-chlorobenzene, 162299_ALDRICH, BENZENE,1-CHLORO,3-FLUORO, NSC10271, TL8004200, InChI=1/C6H4ClF/c7-5-2-1-3-6(8)4-5/h1-4

Molecular Formula: C6H4ClFMolecular Weight: 130.547363 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VZHJIJZEOCBKRA-UHFFFAOYSA-N

• 3,4-Dichloro Fluoro Benzene
IUPAC Name: 1,2-dichloro-4-fluorobenzene | CAS Registry Number: 1435-49-0
Synonyms: 3,4-Dichlorofluorobenzene, 1,2-Dichloro-4-fluorobenzene, NSC82300, CID74028, EINECS 215-858-3, ST5405266

Molecular Formula: C6H3Cl2FMolecular Weight: 164.992423 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QSDKXMVGRLVIQV-UHFFFAOYSA-N

• 2,6-Dichlorobenzamide
IUPAC Name: 2,6-dichlorobenzamide | CAS Registry Number: 2008-58-4
Synonyms: 2,6-DICHLOROBENZAMIDE, Benzamide, 2,6-dichloro-, 2,6-BAM, HSDB 2728, 2,6-dichlorobenzoic acid amide, 36605_RIEDEL, 36605_FLUKA, CHEBI:28435, EINECS 217-918-4, NSC 53137, ZINC00156529, CID16183, NSC53137, c1377, FR-0816, BBV-5725616, LS-184915, C10934, AC-907/25014155, I01-3378

Molecular Formula: C7H5Cl2NOMolecular Weight: 190.026700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: JHSPCUHPSIUQRB-UHFFFAOYSA-N

• [2R*(4R*,8R*)]-(+/-)-3,4-Dihydro-2,5,7,8-Tetramethyl-2-(4,8,12-Trimethyltridecyl)-2H-1-Benzopyran-6-Yl Nicotinate
IUPAC Name: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] pyridine-3-carboxylate | CAS Registry Number: 51898-34-1
Synonyms: Renascin, tocopherol nicotinate, Juvela nicotinate, Vitamin E Nicotinate, TOCOPHERYL NICOTINATE, Vitamin-?E nicotinate, Juvela nicotinate (TN), D-alpha tocopheryl nicotinate, DL-alpha tocopheryl nicotinate, Vitamin E nicotinic acid ester, dl-alpha-Tocopherol nicotinate, T5134_SIGMA, Tocopherol nicotinate (JP15), C35H53NO3, EINECS 256-101-7, (+/-)-alpha-Tocopherol nicotinate, CID27990, BRN 0466142, NCGC00164499-01, NCGC00164499-02

Molecular Formula: C35H53NO3Molecular Weight: 535.800220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MSCCTZZBYHQMQJ-AZAGJHQNSA-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

• 6-Chloro-o-Toluidine (6COT)
IUPAC Name: 2-chloro-6-methylaniline | CAS Registry Number: 87-63-8
Synonyms: 6-Chloro-o-toluidine, o-Toluidine, 6-chloro-, 2-Chloro-6-methylaniline, 2-Amino-3-chlorotoluene, 6-Chloro-2-toluidine, 3-Chloro-2-aminotoluene, 2-Methyl-6-chloroaniline, Benzenamine, 2-chloro-6-methyl-, 6-CHLORO-2-METHYLANILINE, WLN: ZR BG F1, C51008_ALDRICH, 6-Chloro-o-toluidine (NH2=1), NSC60121, EINECS 201-759-2, CID6897, 6-Chloro-o-toluidine [NH2=1], Benzenamine, 6-chloro-2-methyl-, NSC 60121, BRN 0774624, SBB004153

Molecular Formula: C7H8ClNMolecular Weight: 141.598120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WFNLHDJJZSJARK-UHFFFAOYSA-N

• 2-Hydroxy Pyrimidine HCL
IUPAC Name: 1H-pyrimidin-2-one hydrochloride | CAS Registry Number: 38353-09-2
Synonyms: Ambap3227, 2-Hydroxypyrimidine hydrochloride, 2-Pyrimidinol hydrochloride, 2-Pyrimidinone hydrochloride, H57408_ALDRICH, Pyrimidine-2-ol hydrochloride, 56430_FLUKA, Pyrimidin-2-one monohydrochloride, 2(1H)-Pyrimidinone hydrochloride, AIDS023052, AIDS-023052, EINECS 253-897-8, 2-Pyrimidinol, hydrochloride (8CI), NSC 56052, SBB004216, 2(1H)-Pyrimidinone, monohydrochloride, AI3-60177, TL8002805, 1450-92-6, 53412-83-2

Molecular Formula: C4H5ClN2OMolecular Weight: 132.548300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: IAJINJSFYTZPEJ-UHFFFAOYSA-N

• (R)-N-boc-3-Amino-Pyrrolidine
IUPAC Name: tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate | CAS Registry Number: 147081-49-0
Synonyms: (R)-(+)-1-Boc-3-aminopyrrolidine, (r)-1-boc-3-aminopyrrolidine, (R)-3-Amino-1-N-BOC-pyrrolidine, r-bocap, (R)-(+)-N-Boc-3-aminopyrrolidine, (r)-tert-butyl 3-aminopyrrolidine-1-carboxylate, (R)-3-Amino-N-Boc-pyrrolidine, (R)-3-Amino-1-Boc-pyrrolidine, tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate, (3r)-3-amino-1-(tert-butoxycarbonyl)pyrrolidine, (R)-1-N-Boc-3-Aminopyrrolidine, SBB028394, (r)-(+)-1-tboc-3-aminopyrrolidine, (3R)-(+)-1-(tert-Butoxycarbonyl)-3-aminopyrrolidine, AG-D-91849, (3R)-(+)-1-Boc-3-aminopyrrolidine, (r)-n-tert-butoxycarbonyl-3-aminopyrrolidine, (r)-3-amino-1-tert-butoxycarbonylpyrrolidine, (r)-3-amino-pyrrolidine-1-carboxylic acid tert-butyl ester, 1-Pyrrolidinecarboxylic acid, 3-amino-, 1,1-dimethylethyl ester, (3R)-

Molecular Formula: C9H18N2O2Molecular Weight: 186.251420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CMIBWIAICVBURI-SSDOTTSWSA-N

• 1-(2-(2-Hydroxyethoxy)ethyl) Piperazine
IUPAC Name: 2-(2-piperazin-1-ylethoxy)ethanol | CAS Registry Number: 13349-82-1
Synonyms: 2-[2-(1-Piperazinyl)ethoxy]ethanol, 331260_ALDRICH, 1-(2-(2-Hydroxyethoxy)ethyl)piperazine, 2-(2-piperazin-1-ylethoxy)ethanol, ALBB-006029, 1-[2-(2-Hydroxyethoxy)ethyl]piperazine, CID139436, ST5405453, TL8000795

Molecular Formula: C8H18N2O2Molecular Weight: 174.240720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: FLNQAPQQAZVRDA-UHFFFAOYSA-N

• 2,6-Diaminopurine
IUPAC Name: 7H-purine-2,6-diamine | CAS Registry Number: 1904-98-9
Synonyms: 2-Aminoadenine, Diaminopurine, 1H-Purine-2,6-diamine, 2-6-Diaminopurine, Purine, 2,6-diamino-, Purine-2,6-diyldiamine, 9H-Purine-2,6-diamine, 7H-purine-2,6-diamine, CCRIS 923, Purine, 2, 6-diamino-, Oprea1_670021, MLS001066366, NSC 743, 247847_ALDRICH, C5H6N6, NSC743, EINECS 217-605-2, AIDS023709, SQ 21065, X 79

Molecular Formula: C5H6N6Molecular Weight: 150.141340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: MSSXOMSJDRHRMC-UHFFFAOYSA-N

• 2-Amino-4-Chloro-6-NitroPhenol
IUPAC Name: 2-amino-4-chloro-6-nitrophenol | CAS Registry Number: 6358-08-3
Synonyms: 530387_ALDRICH, EINECS 228-761-6, 2-Amino-4-Chloro-6-Nitro Phenol, 2-AMINO-4-CHLORO-6-NITROPHENOL, SBB003676, CID4348294, TL806305

Molecular Formula: C6H5ClN2O3Molecular Weight: 188.568500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: MHAFRUMLQZZSIN-UHFFFAOYSA-N

• 2-Amino-5-Chloro Pyridine
IUPAC Name: 5-chloropyridin-2-amine | CAS Registry Number: 1072-98-6
Synonyms: 2-Amino-5-chloropyridine, 5-Chloro-2-pyridinamine, 2-Pyridinamine, 5-chloro-, 5-Chloro-2-pyridylamine, 5-Chloro-2-aminopyridine, A46803_ALDRICH, Pyridine, 2-amino-5-chloro-, 07530_FLUKA, AIDS021202, AIDS-021202, NSC26283, EINECS 214-020-4, SBB000059, A114, AI3-52448, TL800742115, AH-034/32826050, InChI=1/C5H5ClN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8

Molecular Formula: C5H5ClN2Molecular Weight: 128.559600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MAXBVGJEFDMHNV-UHFFFAOYSA-N

• 2-Amino-5-Fluoro Benzoic Acid
IUPAC Name: 2-amino-5-fluorobenzoic acid | CAS Registry Number: 446-08-2
Synonyms: 5-Fluoroanthranilic acid, 5-fluoroanthranilate, 2-Amino-5-fluorobenzoic acid, 367982_ALDRICH, 07973_FLUKA, ALBB-006133, ALD-N000063, EINECS 207-159-7, CPD0-1487, NSC513308, TL8003110, 3S104446, InChI=1/C7H6FNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11

Molecular Formula: C7H6FNO2Molecular Weight: 155.126443 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: FPQMGQZTBWIHDN-UHFFFAOYSA-N

• (2-Chlorophenyl)phenyl-methanone
IUPAC Name: (2-chlorophenyl)-phenylmethanone | CAS Registry Number: 5162-03-8
Synonyms: 2-Chlorobenzophenone, o-Chlorobenzophenone, Benzophenone, 2-chloro-, 2-Chlorobenyl phenyl ketone, Methanone, (2-chlorophenyl)phenyl-, (2-Chlorophenyl)phenylmethanone, NCIOpen2_002858, 194387_ALDRICH, EINECS 225-936-9, NSC 62529, NSC62529, ZINC00155209, AI3-22112, Benzophenone, 2-chloro- (6CI,7CI,8CI), LS-91175, ST5308340, TL8002352, 51330-06-4

Molecular Formula: C13H9ClOMolecular Weight: 216.662960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VMHYWKBKHMYRNF-UHFFFAOYSA-N

• 2-Ethylhexyl chloroformate
IUPAC Name: 2-ethylhexyl carbonochloridate | CAS Registry Number: 24468-13-1
Synonyms: 2-etylhexyl-chlorformiat, 2-ethylhexyl chlorocarbonate, dl-2-Ethylhexyl chloroformate, 249769_ALDRICH, EINECS 246-278-9, UN2748, Carbonochloridic acid, 2-ethylhexyl ester, NCGC00164108-01, LS-52215, TL8002010, 2-Ethylhexyl chloroformate [UN2748] [Poison], 2-Ethylhexyl chloroformate [UN2748] [Poison]

Molecular Formula: C9H17ClO2Molecular Weight: 192.683080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RTGLJCSUKOLTEM-UHFFFAOYSA-N

• 1,4-Butynediol
IUPAC Name: but-2-yne-1,4-diol | CAS Registry Number: 110-65-6
Synonyms: 2-Butyne-1,4-diol, Butynediol, 2-Butynediol, Agrisynth B3D, But-2-yne-1,4-diol, Bis(hydroxymethyl)acetylene, 1,4-Dihydroxy-2-butyne, 1,4-BUTYNEDIOL, 1,4-Dimethoxyacetylene, 1,4-Butynediol (VAN), Butynediol-1,4 [French], 1,4-Butinodiol [Spanish], WLN: Q2UU2Q, 2-Butin-1,4-diol [Czech], 2-BUTYNE-14-DIOL, HSDB 2004, B103209_ALDRICH, NSC 834, NSC834, 19190_FLUKA

Molecular Formula: C4H6O2Molecular Weight: 86.089240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DLDJFQGPPSQZKI-UHFFFAOYSA-N

• 1-2(-Hydroxy Ethyl) Piperazine
IUPAC Name: 2-piperazin-1-ylethanol | CAS Registry Number: 103-76-4
Synonyms: 2-Piperazinoethanol, 1-Piperazinethanol, Hydroxyethylpiperazine, 1-PIPERAZINEETHANOL, 2-Hydroxyethylpiperazine, 2-Piperazin-1-ylethanol, 1-(2-Hydroxyethyl)piperazine, Piperazine-1-ethanol, 2-(1-Piperazinyl)ethanol, USAF DO-22, N-(2-Hydroxyethyl)piperazine, 4-(2-Hydroxyethyl)piperazine, Ethanol, 2-(1-piperazinyl)-, (.beta.-Hydroxyethyl)piperazine, N-(Hydroxyethyl)piperazine, CCRIS 6687, N-(beta-Hydroxyethyl)piperazine, 1-(beta-Hydroxyethyl)piperazine, H28807_ALDRICH, WLN: T6M DNTJ D2Q

Molecular Formula: C6H14N2OMolecular Weight: 130.188160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WFCSWCVEJLETKA-UHFFFAOYSA-N


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