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• 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

• 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

• 1-Bromo-3-Methyl-2-Butene
IUPAC Name: 1-bromo-3-methylbut-2-ene | CAS Registry Number: 870-63-3
Synonyms: Prenyl bromide, Dimethylallyl bromide, 2-Butene, 1-bromo-3-methyl-, 3,3-Dimethylallyl bromide, 1-Bromo-3-methyl-2-butene, 1-Bromo-3-methylbut-2-ene, 249904_ALDRICH, 274372_ALDRICH, .gamma.,.gamma.-Dimethylallyl bromide, NChemBio.2007.20-comp24, CID70092, EINECS 212-799-5

Molecular Formula: C5H9BrMolecular Weight: 149.028960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LOYZVRIHVZEDMW-UHFFFAOYSA-N

• 1-Methyl-4-Nitro-5-Chloro Imidazole
IUPAC Name: 5-chloro-1-methyl-4-nitroimidazole | CAS Registry Number: 4897-25-0
Synonyms: PCMNI, Imidazole, 5-chloro-1-methyl-4-nitro-, MLS001049362, 367532_ALDRICH, 1H-Imidazole, 5-chloro-1-methyl-4-nitro-, 1-Methyl-5-chloro-4-nitroimidazole, EINECS 225-521-2, TOS-BB-0124, ZERO/005727, NSC7852, CID21010, 5-CHLORO-1-METHYL-4-NITROIMIDAZOLE, BRN 0136775, ZINC01081474, 5-Chloro-1-methyl-4-nitro-1H-imidazole, AI3-51948, LS-78292, SMR000427350, S 50154-9, 5-23-04-00493 (Beilstein Handbook Reference)

Molecular Formula: C4H4ClN3O2Molecular Weight: 161.546460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OSJUNMSWBBOTQU-UHFFFAOYSA-N

• 2-(3-Amino-4-Chlorobenyzoyl)-Benzoic Acid
IUPAC Name: 2-(3-amino-4-chlorobenzoyl)benzoic acid | CAS Registry Number: 118-04-7
Synonyms: Oprea1_159790, NSC74496, CID67037, EINECS 204-230-4, NSC 74496, o-(3-Amino-4-chlorobenzoyl)benzoic acid, Benzoic acid, 2-(3-amino-4-chlorobenzoyl)-, Benzoic acid, o-(3-amino-4-chlorobenzoyl)-, 2-(3-Amino-4-chlorobenzoyl)benzoic acid, 2-(3-Amino-4-chloro-benzoyl)benzoic acid, ST5146741, TL8000498, Benzoic acid, o-(3-amino-4-chlorobenzoyl)- (8CI)

Molecular Formula: C14H10ClNO3Molecular Weight: 275.687100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: MQECGSWGDQIHHD-UHFFFAOYSA-N

• 2,2-Dibromo-2-Cyanoacetamide
IUPAC Name: 2,2-dibromo-2-cyanoacetamide | CAS Registry Number: 10222-01-2
Synonyms: Dbnpa, Dibromocyanoacetamide, XD-7287l Antimicrobial, Caswell No. 287AA, NCIOpen2_006184, 2,2-Dibromo-3-nitrilopropionamide, 2,2-DIBROMO-2-CYANOACETAMIDE, Acetamide, 2,2-dibromo-2-cyano-, HSDB 6982, Dibromocyano acetic acid amide, 2,2-Dibromo-2-carbamoylacetonitrile, 540978_ALDRICH, Acetamide, 2-cyano-2,2-dibromo-, XD 7287L, EINECS 233-539-7, XD-1603, NSC 98283, EPA Pesticide Chemical Code 101801, CID25059, NSC98283

Molecular Formula: C3H2Br2N2OMolecular Weight: 241.868780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UUIVKBHZENILKB-UHFFFAOYSA-N

• 2,3,4,4'-Tetrahydroxy Benzophenone
IUPAC Name: (4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone | CAS Registry Number: 31127-54-5
Synonyms: 2,3,4,4'-Tetrahydroxybenzophenone, 2,3,4,4'-Tetrahydroxy benzophenone, (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone, 311127-54-5, ZINC00507420, PubChem3404, AC1LJAAF, ACMC-1AJ2Q, AGN-PC-0D6W7V, DSSTox_CID_27932, DSSTox_RID_82685, DSSTox_GSID_47956, Oprea1_408626, KSC566I1H, Jsp005828, STOCK2S-11493, CTK4G6413, MolPort-002-560-214, GenBank AZ674294 (9CI), ACT07575

Molecular Formula: C13H10O5Molecular Weight: 246.215500 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: ZRDYULMDEGRWRC-UHFFFAOYSA-N

• 2,3,4-Trihydroxy Benzoic Acid
IUPAC Name: 2,3,4-trihydroxybenzoic acid | CAS Registry Number: 610-02-6
Synonyms: Pyrogallolcarboxylic acid, 2,3,4-Trihydroxybenzoate, 4-Pyrogallolcarboxylic acid, 2,3,4-TRIHYDROXYBENZOIC ACID, Oprea1_870375, Pyrogallol-4-carboxylic acid, Benzoic acid, 2,3,4-trihydroxy-, 253847_ALDRICH, EINECS 210-205-9, 2,3,4-Trihydroxybenzene carboxylic acid, NSC 27436, Pyrogallic acid-4-carboxylic acid, CID11874, NSC27436, BRN 2210807, LS-38396, 4-10-00-01971 (Beilstein Handbook Reference), InChI=1/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12

Molecular Formula: C7H6O5Molecular Weight: 170.119540 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: BRRSNXCXLSVPFC-UHFFFAOYSA-N

• 2,3-Dichlorobenzaldehyde
IUPAC Name: 2,3-dichlorobenzaldehyde | CAS Registry Number: 6334-18-5
Synonyms: Benzaldehyde, dichloro-, Benzaldehyde, 2,3-dichloro-, DICHLOROBENZALDEHYDE, 254835_ALDRICH, 35248_FLUKA, NSC28450, EINECS 228-711-3, EINECS 250-492-8, NSC 28450, SBB003792, ZINC02539302, AK-968/41169414, 31155-09-6

Molecular Formula: C7H4Cl2OMolecular Weight: 175.012060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LLMLNAVBOAMOEE-UHFFFAOYSA-N

• 2,3-Pyrazine Dicarboxylic Acid
IUPAC Name: pyrazine-2,3-dicarboxylic acid | CAS Registry Number: 89-01-0
Synonyms: 2,3-Pyrazinedicarboxylic acid, 2,3-Dicarboxypyrazine, Pyrazine-2,3-dicarboxylate, Pyrazine-2,3-dicarboxylic acid, Maybridge1_001780, P56208_ALDRICH, NSC1908, NSC 1908, EINECS 201-875-3, AIDS012682, AIDS-012682, BRN 0147982, NCI60_001592, LS-127602, ST5160363, TL8005761, P-8100, 5-25-05-00383 (Beilstein Handbook Reference), SR-01000635503-1

Molecular Formula: C6H4N2O4Molecular Weight: 168.106960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: ZUCRGHABDDWQPY-UHFFFAOYSA-N

• 2,3-Xylidine
IUPAC Name: 2,3-dimethylaniline | CAS Registry Number: 87-59-2
Synonyms: 2,3-Dimethylaniline, ortho-Xylidine, o-Xylidine, 3-Amino-o-xylene, 2,3-XYLIDINE, 2,3-Xylylamine, Benzenamine, 2,3-dimethyl-, CN-Cbl, 2,3-Dimethylbenzenamine, 2,3-Dimethylphenylamine, CCRIS 4739, Benzenamine, ar,ar-dimethyl-, HSDB 2091, 1-Amino-2,3-dimethylbenzene, D145807_ALDRICH, Benzene, 1-amino-2,3-dimethyl-, EINECS 201-755-0, BRN 0742174, ZINC03860406, LS-1866

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

InChIKey: VVAKEQGKZNKUSU-UHFFFAOYSA-N

• 2,4-Dimethylaniline
IUPAC Name: 2,4-dimethylaniline | CAS Registry Number: 95-68-1
Synonyms: m-Xylidine, 2,4-XYLIDINE, meta-Xylidine, m-4-Xylidine, 2-Methyl-p-toluidine, 4-Methyl-o-toluidine, m-Xylidine (VAN), Benzenamine, 2,4-dimethyl-, 4-Amino-1,3-xylene, 4-Amino-m-xylene, 2,4-Dimethylbenzenamine, 4-Amino-3-methyltoluene, Aniline, 2,4-dimethyl-, 2,4-Dimethylphenylamine, 1-Amino-2,4-dimethylbenzene, 4-Amino-1,3-dimethylbenzene, 2,4-dimethyl-Benzenamine, CCRIS 254, HSDB 2092, WLN: ZR B1 D1

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

InChIKey: CZZZABOKJQXEBO-UHFFFAOYSA-N

• 2,4-Dichloro-3-Ethyl-6-Nitrophenol
IUPAC Name: 2,4-dichloro-3-ethyl-6-nitrophenolate | CAS Registry Number: 99817-36-4
Synonyms: ZINC02562555, CID7020338

Molecular Formula: C8H6Cl2NO3-Molecular Weight: 235.044140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YTVCECQSAPGJBB-UHFFFAOYSA-M

• 2,4-Dinitro-6-Bromoaniline
IUPAC Name: 2-bromo-4,6-dinitroaniline | CAS Registry Number: 1817-73-8
Synonyms: Bromo DNA, 2-BROMO-4,6-DINITROANILINE, 2,4-Dinitro-6-bromoaniline, 6-Bromo-2,4-dinitroaniline, Aniline, 2-bromo-4,6-dinitro-, Benzenamine, 2-bromo-4,6-dinitro-, CCRIS 820, 2-Bromo-4,6-dinitroaminobenzene, 2,4-Dinitro-6-bromanilin, Aniline, 2,4-dinitro-6-bromo-, WLN: WNR BZ CE ENW, HSDB 5453, MLS002152870, 113964_ALDRICH, NCI-C60844, 2,4-Dinitro-6-bromanilin (czech), EINECS 217-329-2, 2,4-Dinitro-6-bromoanilin [Czech], Benzenamide, 2-bromo-4,6-dinitro-, NSC 16572

Molecular Formula: C6H4BrN3O4Molecular Weight: 262.017660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: KWMDHCLJYMVBNS-UHFFFAOYSA-N

• 2,5-Dimethoxyaniline
IUPAC Name: 2,5-dimethoxyaniline | CAS Registry Number: 102-56-7
Synonyms: 2,5-DIMETHOXYANILINE, Aniline, 2,5-dimethoxy-, Benzenamine, 2,5-dimethoxy-, Aminohydroquinone dimethyl ether, 2,5-Dimethoxybenzenamine, 1-Amino-2,5-dimethoxybenzene, WLN: 1OR BZ DO1, 112984_ALDRICH, NSC 4138, EINECS 203-040-9, NSC4138, AIDS019959, AIDS-019959, BRN 0776823, SBB007581, ZINC00388087, C.I. 35811, AI3-16637, LS-19723, 4-13-00-02548 (Beilstein Handbook Reference)

Molecular Formula: C8H11NO2Molecular Weight: 153.178440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NAZDVUBIEPVUKE-UHFFFAOYSA-N

• 2,6-Dichlorobenzoic Acid
IUPAC Name: 2,6-dichlorobenzoic acid | CAS Registry Number: 50-30-6
Synonyms: 2,6-DICHLOROBENZOIC ACID, Benzoic acid, 2,6-dichloro-, WLN: QVR BG FG, D57450_ALDRICH, 36706_RIEDEL, 35310_FLUKA, CHEBI:48623, EINECS 200-025-9, NSC 76599, NSC76599, BRN 0973858, SBB007694, AI3-33337, FR-0125, LS-1303, NCGC00091649-01, TL806245, 4-09-00-01005 (Beilstein Handbook Reference), BENZOIC ACID,2,6-DICHLORO MFC7 H4 O2 CL2, InChI=1/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11

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

InChIKey: MRUDNSFOFOQZDA-UHFFFAOYSA-N

• 2,6-Dichloro Diphenylamine
IUPAC Name: 2,6-dichloro-N-phenylaniline | CAS Registry Number: 15307-93-4
Synonyms: N-Phenyl-2,6-dichloroaniline, 2,6-Dichlorodiphenylamine, 2,6-Dichloro-N-phenylaniline, 536369_ALDRICH, EINECS 239-349-0, SBB003229, ZINC00403974, Benzenamine, 2,6-dichloro-N-phenyl-, FR-2181

Molecular Formula: C12H9Cl2NMolecular Weight: 238.112560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HDUUZPLYVVQTKN-UHFFFAOYSA-N

• 2,6-Dimethyl-4-Heptanone
IUPAC Name: 2,6-dimethylheptan-4-one | CAS Registry Number: 108-83-8
Synonyms: Isovalerone, Isobutyl ketone, Valerone, Diisobutylketone, DIISOBUTYL KETONE, Diisobutylketon, DIBK, s-Diisopropylacetone, Diisobutilchetone, Di-isobutylcetone, 4-Heptanone, 2,6-dimethyl-, C9-Ketones, 2,6-Dimethyl-4-heptanone, 2,6-Dimethylheptan-4-one, sym-Diisopropylacetone, 2,6-Dimethylheptanone, sec-Diisopropyl acetone, Caswell No. 355B, Ketones, C9-branched, Di-isobutylcetone [French]

Molecular Formula: C9H18OMolecular Weight: 142.238620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PTTPXKJBFFKCEK-UHFFFAOYSA-N

• 2-Amino-3,5-Dinitrothiophene
IUPAC Name: 3,5-dinitrothiophen-2-amine | CAS Registry Number: 2045-70-7
Synonyms: 2-Amino-3,5-dinitrothiophene, 2,5-Dinitrothiophen-2-amine, 521620_ALDRICH, 2-Thiophenamine, 3,5-dinitro-, ZINC04073051, Thiophene, 2-amino-3,5-dinitro-, CID74895, EINECS 218-065-0, ST5307672, 12W-0934

Molecular Formula: C4H3N3O4SMolecular Weight: 189.149320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: DZRZHFOFVWAKGT-UHFFFAOYSA-N

• 2-Bromopropane
IUPAC Name: 2-bromopropane | CAS Registry Number: 75-26-3
Synonyms: Propane, 2-bromo-, Isopropylbromide, ISOPROPYL BROMIDE, 2-BROMO-PROPANE, CCRIS 7919, HSDB 623, B78114_ALDRICH, 68551_FLUKA, EINECS 200-855-1, UN2344, AI3-18127, LS-1659, NCGC00091451-01, TL8005157, 2-Bromopropane [UN2344] [Flammable liquid], 2-Bromopropane [UN2344] [Flammable liquid], InChI=1/C3H7Br/c1-3(2)4/h3H,1-2H

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

InChIKey: NAMYKGVDVNBCFQ-UHFFFAOYSA-N

• 2-Furoic Acid
IUPAC Name: furan-2-carboxylic acid | CAS Registry Number: 88-14-2
Synonyms: Pyromucic acid, 2-FUROIC ACID, 2-Carboxyfuran, 2-Furancarboxylic acid, alpha-Furoic acid, Furancarboxylic acid, FUROIC ACID, 2-Furoate, Furan-2-carboxylic acid, alpha-Furancarboxylic acid, .alpha.-Furoic acid, Kyselina 2-furoova [Czech], Kyselina pyroslizova [Czech], 2-Furoic acid [per EINECS], CCRIS 2157, .alpha.-Furancarboxylic acid, F20505_ALDRICH, 2-FUROIC ACID, PRACT, NSC 8842, 48000_FLUKA

Molecular Formula: C5H4O3Molecular Weight: 112.083460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SMNDYUVBFMFKNZ-UHFFFAOYSA-N

• 2-Hydroxy-4-Methoxy Benzophenone-5-Sulphonic Acid
IUPAC Name: 5-(benzoyl)-4-hydroxy-2-methoxybenzenesulfonic acid | CAS Registry Number: 4065-45-6
Synonyms: Sulisobenzone, Sungard, Sulisobenzona, Sulisobenzonum, Uvinul, Uval, Benzophenone 4, Benzophenone-4, Uval sodium salt, Uvinuc ms 40, Seesorb 101S, Syntase 230, Uvinul MS 40, UV Absorber HMBS, Sungard (TN), HMBS, SULISOBENZENE, Uvinul MS-40 substanz, Spectra-Sorb UV 284, Uval (*sodium salt*)

Molecular Formula: C14H12O6SMolecular Weight: 308.306480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: CXVGEDCSTKKODG-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

• 1,5-Diaminoanthraquinone
IUPAC Name: 1,5-diaminoanthracene-9,10-dione | CAS Registry Number: 129-44-2
Synonyms: Smoke Red F, Prestwick_161, C.I. Disperse Red II, 1,5-Anthraquinonyldiamine, 1,5-Daa [Russian], 1,5-DIAMINOANTHRAQUINONE, 1,5-Diaminoanthrachinon, Anthraquinone, 1,5-diamino-, 1,5-Daa, CCRIS 5609, 1,5-Diamino-9,10-anthraquinone, Anthraquinone, 1,5-diamino, NCIOpen2_002796, 9,10-Anthracenedione, 1,5-diamino-, 1,5-Diaminoanthrachinon [Czech], 367842_ALDRICH, NSC 7213, EINECS 204-947-2, NSC7213, NSC 63791

Molecular Formula: C14H10N2O2Molecular Weight: 238.241400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: VWBVCOPVKXNMMZ-UHFFFAOYSA-N

• 1-methyl-3-phenylpropylamine
IUPAC Name: 4-phenylbutan-2-amine | CAS Registry Number: 22374-89-6
Synonyms: 3-Amino-1-phenylbutane, 1-Phenyl-3-aminobutane, 4-Phenyl-2-aminobutane, 1-Methyl-3-phenylpropylamine, 4-Phenyl-2-butylamine, alpha-Methylbenzenepropanamine, M70533_ALDRICH, Benzenepropanamine, .alpha.-methyl-, 1-Phenyl-3-amino-butan [German], .alpha.-Methylbenzenepropanamine, EINECS 244-942-2, Benzenepropanamine, alpha-methyl-, Propylamine, 1-methyl-3-phenyl-, NSC 115524, alpha-Methyl-gamma-phenyl-N-propylamine, BRN 2413110, NSC115524, PROPYLAMINE, alpha-METHYL-gamma-PHENYL-, Benzenepropanamine, alpha-methyl- (9CI), alpha-Methyl-gamma-phenyl-n-propylamin [German]

Molecular Formula: C10H15NMolecular Weight: 149.232800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WECUIGDEWBNQJJ-UHFFFAOYSA-N

• 2-Naphthoxyacetic acid
IUPAC Name: 2-naphthalen-1-yloxyacetic acid | CAS Registry Number: 2976-75-2
Synonyms: 1-Naphthoxyacetic acid, (1-Naphthyloxy)acetic acid, 1-Naphthyloxyacetic acid, alpha-Naphthoxyacetic acid, NAPHTHYLOXYACETIC ACID, (1-Naphthoxy)acetic acid, .alpha.-Naphthoxyacetic acid, Oprea1_372975, MLS000531067, (1-naphthalenyloxy)acetic acid, 255416_ALDRICH, ARONIS000556, BETA-NAPHTHOXYACETIC ACID, (naphthalen-1-yloxy)acetic acid, CHEBI:44588, NSC9847, Acetic acid, (1-naphthalenyloxy)-, ALBB-000228, NSC 9847, EINECS 221-023-4

Molecular Formula: C12H10O3Molecular Weight: 202.206000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GHRYSOFWKRRLMI-UHFFFAOYSA-N

• (S)-Ethyl-4-cyano-3-hydroxybutyrate
IUPAC Name: ethyl (3S)-4-cyano-3-hydroxybutanoate | CAS Registry Number: 312745-91-8
Synonyms: Ethyl (S)-4-cyano-3-hydroxybutyrate, Ethyl(S)-4-cyano-3-hydroxybutyrate, ethyl (3S)-4-cyano-3-hydroxybutanoate, PubChem21112, AC1ODU3A, AC1Q326K, Jsp005842, CTK3J6572, MolPort-003-847-210, ANW-27071, ZINC02567777, AKOS006237892, (S)-Ethyl 4-cyano-3-hydroxybutanoate, AG-F-03919, Ethyl S-(+)-4-Cyano-3-hydroxybutyrate, AK112339, KB-77251, 4-Cyano-3-hydroxy-butyric acid ethyl ester, Ethyl (S)-(+)-4-cyano-3-hydroxybutyrate, A5663

Molecular Formula: C7H11NO3Molecular Weight: 157.167140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LOQFROBMBSKWQY-LURJTMIESA-N

• 2,6-Dichlorophenylhydrazine hydrochloride
IUPAC Name: (2,6-dichlorophenyl)hydrazine hydrochloride | CAS Registry Number: 50709-36-9
Synonyms: 153419_ALDRICH, EINECS 256-730-7, BTB 08663, 2,6-DICHLOROPHENYLHYDRAZINE HCL, (2,6-Dichlorophenyl)hydrazine monohydrochloride

Molecular Formula: C6H7Cl3N2Molecular Weight: 213.492180 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: CQNIYLLTIOPFCJ-UHFFFAOYSA-N

• 4-Nitrophenethyl bromide
IUPAC Name: 1-(2-bromoethyl)-4-nitrobenzene | CAS Registry Number: 5339-26-4
Synonyms: p-Nitrophenethyl bromide, 4-nitrophenyl-ethyl-bromide, 1-(2-Bromoethyl)-4-nitrobenzene, 2-(4-Nitrophenyl)ethyl bromide, 4-(2-Bromoethyl)nitrobenzene, .beta.-(p-Nitrophenyl)ethyl bromide, 115053_ALDRICH, Benzene, 1-(2-bromoethyl)-4-nitro-, 73614_FLUKA, NSC3493, EINECS 226-271-7, NSC100730, ZINC01666812, FS000341, C110057, InChI=1/C8H8BrNO2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6H, NPB

Molecular Formula: C8H8BrNO2Molecular Weight: 230.058620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NTURQZFFJDCTMZ-UHFFFAOYSA-N

• (R)-3-Chloro-1,2-propanediol
IUPAC Name: (2R)-3-chloropropane-1,2-diol | CAS Registry Number: 57090-45-6
Synonyms: CCRIS 7387, MLS001074871, 540056_ALDRICH, (R)-alpha-Glycerol chlorohydrin, 26075_FLUKA, 1,2-Propanediol, 3-chloro-, (R)-, c0081, ZINC02041175, (R)-( )-3-Chloro-1,2-propanediol, (R)-(-)-3-Chloro-1,2-propanediol, SMR000469516, LS-188656, TL8003675, (R)-(−)-3-Chloro-1,2-propanediol, 96-24-2

Molecular Formula: C3H7ClO2Molecular Weight: 110.539480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: SSZWWUDQMAHNAQ-VKHMYHEASA-N

• 2-Dimethylaminobenzoic acid
IUPAC Name: 2-(dimethylamino)benzoic acid | CAS Registry Number: 610-16-2
Synonyms: N,N-Dimethylanthranilic acid, Benzoic acid, 2-(dimethylamino)-, 2-(Dimethylamino)benzoic acid, Anthranilic acid, N,N-dimethyl-, o-DIMETHYLAMINOBENZOIC ACID, AIDS020032, AIDS-020032, NSC45790, EINECS 210-209-0, NSC 45790, Anthranilic acid, N,N-dimethyl- (8CI), AI3-05925, ST5406894, 223460-02-4

Molecular Formula: C9H11NO2Molecular Weight: 165.189140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DVVXXHVHGGWWPE-UHFFFAOYSA-N

• 1-(2,3-Difluoro-6-nitrophenoxy)-2-propanone
IUPAC Name: 1-(2,3-difluoro-6-nitrophenoxy)propan-2-one | CAS Registry Number: 82419-32-7
Synonyms: ZINC04284497, SBB009909, CID1268241

Molecular Formula: C9H7F2NO4Molecular Weight: 231.152986 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: ZJVPAAJHCJMGGL-UHFFFAOYSA-N

• 1-(2-cyanobiphenyl-4-yl-methyl)- 2-ethoxybenzimidazole-7-carboxylic Acid Ethyl Ester
IUPAC Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate | CAS Registry Number: 139481-44-0
Synonyms: AG-D-79570, Methyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate, Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate, 3-(2'-Cyano-biphenyl-4-ylmethyl)-2-ethoxy-3H-benzoimidazole-4-carboxylic acid methyl ester, METHYL 1-((2'-CYANOBIPHENYL-4-YL)METHYL)-2-ETHOXY-1H-BENZO[D]IMIDAZOLE-7-CARBOXYLATE, 1H-Benzimidazole-7-carboxylic acid, 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-, methyl ester, 1H-Benzimidazole-7-carboxylicacid, 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-, methyl ester, 1H-Benzimidazole-7-carboxylicacid, 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-methylester, ACMC-209vl7, SureCN3976108, BEN721, CTK4C1826, MolPort-005-938-597, ANW-45209, CX1031, QC-596, ZINC21992940, AKOS015896142, AC-7777, LS40975

Molecular Formula: C25H21N3O3Molecular Weight: 411.452540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: KSXLHOFDCDKQLH-UHFFFAOYSA-N

• 2,3-Dichloropropene
IUPAC Name: 2,3-dichloroprop-1-ene | CAS Registry Number: 78-88-6
Synonyms: 2,3-Dichloropropylene, Propene, 2,3-dichloro-, 2-Chloroallyl chloride, 1-Propene, 2,3-dichloro-, Propylene, 2,3-dichloro, 1,2-Dichloro-2-propene, 2,3-DICHLORO-1-PROPENE, 2,3-dichloroprop-1-ene, CCRIS 956, C3H4Cl2, WLN: G1YGU1, D72603_ALDRICH, HSDB 5222, 36318_FLUKA, EINECS 201-153-8, 2,3-DCP, NSC 60520, NSC60520, BRN 1361491, AI3-14619

Molecular Formula: C3H4Cl2Molecular Weight: 110.969860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FALCMQXTWHPRIH-UHFFFAOYSA-N

• 2,3-Dichloro-5,6-Dicyano-1,4-Benzoquinone
IUPAC Name: 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile | CAS Registry Number: 84-58-2
Synonyms: Dichlorodicyanoquinone, Dichlorodicyano-p-benzoquinone, Dichlorodicyanobenzoquinone, 2,3-Dichloro-5,6-dicyanoquinone, CCRIS 7154, D60400_ALDRICH, 1,2-Dichloro-4,5-dicyanobenzoquinone, 2,3-Dichloro-5,6-dicyanobenzoquinone, 2,3-Dicyano-5,6-dichlorobenzoquinone, 2,3,5,6-Dichlorodicyanoquinone, EINECS 201-542-2, 2,3-Dichloro-5,6-dicyano-p-quinone, AIDS218263, 2,3-Dichloro-5,6-dicyano-p-benzoquinone, NSC 401087, AIDS-218263, NSC401087, 5,6-Dichloro-2,3-dicyano-p-benzoquinone, 5,6-Dicyano-2,3-dichloro-p-benzoquinone, 1,4-CYCLOHEXADIENE-1,2-DICARBONITRILE, 4,5-DICHLORO-3,6-DIOXO-

Molecular Formula: C8Cl2N2O2Molecular Weight: 227.003800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: HZNVUJQVZSTENZ-UHFFFAOYSA-N

• 2',3',4'-Trichloroacetophenone
IUPAC Name: 1-(2,3,4-trichlorophenyl)ethanone | CAS Registry Number: 13608-87-2
Synonyms: CCRIS 785, 2',3',4'-TRICHLOROACETOPHENONE, 178381_ALDRICH, EINECS 237-092-9, 1-(2,3,4-Trichlorophenyl)ethanone, Acetophenone, 2',3',4'-trichloro-, Ethanone, 1-(2,3,4-trichlorophenyl)-, LS-796, ZINC00056484, NCGC00091193-01, ST5308555, TL8000838

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

InChIKey: BXJZZJYNVIDEKG-UHFFFAOYSA-N

• 2-Chloro-5-methylphenol
IUPAC Name: 2-chloro-5-methylphenol | CAS Registry Number: 615-74-7
Synonyms: 6-Chloro-m-cresol, m-Cresol, 6-chloro-, Phenol, 2-chloro-5-methyl-, 3-Methyl-6-chlorophenol, 5-Methyl-2-chlorophenol, 6-Chloro-3-methylphenol, CHLORO-M-CRESOL, Ambap5773, 4-Chloro-3-hydroxytoluene, 2-CHLORO-5-METHYLPHENOL, 2-CHLOROMETHYLPHENOL, Chloro-m-cresol, all isomers, HSDB 7107, 159557_ALDRICH, Chloro-m-toluidine, all isomers, 3-Methylphenol monochloro deriv., EINECS 210-444-9, BRN 2041487, ZINC00388375, Phenol, 3-methyl-, monochloro deriv.

Molecular Formula: C7H7ClOMolecular Weight: 142.582880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SMFHPCZZAAMJJO-UHFFFAOYSA-N

• 2,6-Difluorobenzaldehyde
IUPAC Name: 2,6-difluorobenzaldehyde | CAS Registry Number: 437-81-0
Synonyms: 265152_ALDRICH, JRD-0120, SBB006685, ZINC02539337, TL806242

Molecular Formula: C7H4F2OMolecular Weight: 142.102866 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SOWRUJSGHKNOKN-UHFFFAOYSA-N

• 2,4-Difluorobenzamide
IUPAC Name: 2,4-difluorobenzamide | CAS Registry Number: 85118-02-1
Synonyms: Benzamide, 2,4-difluoro-, 566373_ALDRICH, ZINC00167180, EINECS 285-654-7, CID123588

Molecular Formula: C7H5F2NOMolecular Weight: 157.117506 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KTXFXDMDYZIXSJ-UHFFFAOYSA-N

• 3-Acetylpyridine
IUPAC Name: 1-pyridin-3-ylethanone | CAS Registry Number: 350-03-8
Synonyms: 3-Acetopyridine, 3-ACETYLPYRIDINE, beta-Acetylpyridine, Methyl pyridyl ketone, Ketone, methyl 3-pyridyl, Methyl 3-pyridyl ketone, Pyridine, 3-acetyl-, 3-Pyridyl methyl ketone, Ethanone, 1-(3-pyridinyl)-, 1-(3-Pyridinyl)ethanone, .beta.-Acetylpyridine, 1-(3-Pyridenyl)ethanone, 1-pyridin-3-ylethanone, PYRIDINE,3-ACETYL, C7H7NO, FEMA No. 3424, WLN: T6NJ CV1, NCIOpen2_001469, A21207_ALDRICH, Methyl .beta.-pyridyl ketone

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

InChIKey: WEGYGNROSJDEIW-UHFFFAOYSA-N


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