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• 2,2,3,3-Tetrafluoropropanol
IUPAC Name: 2,2,3,3-tetrafluoropropan-1-ol | CAS Registry Number: 76-37-9
Synonyms: Tetrafluoropropyl alcohol, 2,2,3,3-Tetrafluoro-1-propanol, WLN: Q1XFFYFF, 2,2,3,3-Tetrafluoropropyl alcohol, NSC 113, 1,1,3-Trihydroperfluoro-1-propanol, 326275_ALDRICH, NSC113, 1-Propanol, 2,2,3,3-tetrafluoro-, 1H,1H,3H-Tetrafluoro-1-propanol, 2,2,3,3-Tetrafluoropropan-1-ol, 87270_FLUKA, EINECS 200-955-5, CID6441, 2,2,3,3-TETRAFLUOROPROPANOL, BB_SC-0393, BRN 1738264, ZINC01555301, AI3-23784, T107

Molecular Formula: C3H4F4OMolecular Weight: 132.056873 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: NBUKAOOFKZFCGD-UHFFFAOYSA-N

• 2,3,4-Trihydroxybenzophenone
IUPAC Name: phenyl-(2,3,4-trihydroxyphenyl)methanone | CAS Registry Number: 1143-72-2
Synonyms: Gallobenzophenone, Alizarin yellow A, Alizarine Yellow A, Ambap7429, Oprea1_565948, 2,3,4-Trihydroxbenzophenone, 260576_ALDRICH, Benzophenone, 2,3,4-trihydroxy-, CID70837, NSC30665, EINECS 214-540-1, NSC 30665, ZINC00225866, Methanone, phenyl(2,3,4-trihydroxyphenyl)-, C.I. 57005, NCGC00164115-01, Phenyl(2,3,4-trihydroxyphenyl)-methanone, Benzophenone, 2,3,4-trihydroxy- (8CI), EU-0033390, InChI=1/C13H10O4/c14-10-7-6-9(12(16)13(10)17)11(15)8-4-2-1-3-5-8/h1-7,14,16-17

Molecular Formula: C13H10O4Molecular Weight: 230.216100 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: HTQNYBBTZSBWKL-UHFFFAOYSA-N

• 2,4,6-Tribromophenol
IUPAC Name: 2,4,6-tribromophenol | CAS Registry Number: 118-79-6
Synonyms: 2,4,6-tribromophenol, Tribromophenol, Bromkal pur 3, Bromol, Xeroform, Flammex 3BP, Phenol, 2,4,6-tribromo-, 1e5a, C6H3Br3O, BISMUTH TRIBROMOPHENATE, WLN: QR BE DE FE, CCRIS 1658, TA 10, HSDB 5584, MLS002152858, 137715_ALDRICH, 36918_RIEDEL, 442304_SUPELCO, NSC 2136, 90730_FLUKA

Molecular Formula: C6H3Br3OMolecular Weight: 330.799420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BSWWXRFVMJHFBN-UHFFFAOYSA-N

• 2,4-Dichloroaniline
IUPAC Name: 2,4-dichloroaniline | CAS Registry Number: 554-00-7
Synonyms: 2,4-DICHLOROANILINE, o,p-Dichloroaniline, 2,4-Dichloranilin, 2,4-Dichlorobenzenamine, Aniline, 2,4-dichloro-, Benzenamine, 2,4-dichloro-, 2,4-Dichlorophenylamine, 2,4-DCA, WLN: ZR BG DG, 2,4-Dichloranilin [German], 1-Amino-2,4-dichlorobenzene, CCRIS 6012, HSDB 5428, 112151_ALDRICH, 35829_RIEDEL, NSC 8756, 35170_FLUKA, CHEBI:46635, EINECS 209-057-8, 2,4-dichloroaniline hydrochloride

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

InChIKey: KQCMTOWTPBNWDB-UHFFFAOYSA-N

• 2,5 Dichloro P-Nitroaniline
IUPAC Name: 2,5-dichloro-4-nitroaniline | CAS Registry Number: 6627-34-5
Synonyms: 2,5-Dichloro-4-nitroaniline, 524204_ALDRICH, Benzenamine, 2,5-dichloro-4-nitro-, 2,5-Dichloro-4-nitrobenzenenamine, NSC60645, EINECS 229-591-5, NSC 60645, ANILINE, 2,5-DICHLORO-4-NITRO-, CID23108, BRN 2211952, SBB003478, ZINC04283592, LS-19696, ST5409817, 2-12-00-00400 (Beilstein Handbook Reference)

Molecular Formula: C6H4Cl2N2O2Molecular Weight: 207.014160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JBXZCPXEYAEMJS-UHFFFAOYSA-N

• 2,5-Dichloroaniline
IUPAC Name: 2,5-dichloroaniline | CAS Registry Number: 95-82-9
Synonyms: 2,5-DICHLOROANILINE, Scarlet 2g base, Azobase DCA, Scarlet Base GG, Fast Scarlet 2G, Scarlet Base NGG, Diazol Scarlet 2Zh, Fast Red SGG Base, Hindamine Scarlet GG, Stabamine Scarlet GG, Scarlet Base Ciba I, Scarlet Salt Ciba I, Scarlet salt ngg, 2,5-Dichloranilin, Fast scarlet 2g base, Scarlet 2g salt, Aniline, 2,5-dichloro-, Fast Scarlet DS Base, Fast Scarlet GG Base, Lake Scarlet GG Base

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

InChIKey: AVYGCQXNNJPXSS-UHFFFAOYSA-N

• 2,6-Diaminopyridine
IUPAC Name: pyridine-2,6-diamine | CAS Registry Number: 141-86-6
Synonyms: 2,6-pyridinediamine, pyridine, 2,6-diamino-, pyridine-2,6-diamine, DAP (amine), pyridine-2,6-diyldiamine, WLN: T6NJ BZ FZ, CCRIS 6682, D24404_ALDRICH, NSC 1921, 33321_FLUKA, EINECS 205-507-2, CID8861, NSC1921, BRN 0108513, SBB004340, AI3-18054, D253, TL806197, LS-131134, 5-22-11-00255 (Beilstein Handbook Reference)

Molecular Formula: C5H7N3Molecular Weight: 109.129180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VHNQIURBCCNWDN-UHFFFAOYSA-N

• 2,6-Dichlorobenzaldehyde
IUPAC Name: 2,6-dichlorobenzaldehyde | CAS Registry Number: 83-38-5
Synonyms: 2,6-DICHLOROBENZALDEHYDE, Benzaldehyde, 2,6-dichloro-, CCRIS 6014, D56500_ALDRICH, NSC7193, NSC 7193, 35260_FLUKA, EINECS 201-472-2, CID6737, ZINC00148002, LS-1824, NCGC00091746-01, NCGC00091746-02, TL806122, ST5199694, InChI=1/C7H4Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4

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

InChIKey: DMIYKWPEFRFTPY-UHFFFAOYSA-N

• 2-Acetylthiophene
IUPAC Name: 1-thiophen-2-ylethanone | CAS Registry Number: 88-15-3
Synonyms: 2-Acetothienone, 2-Acetothiophene, 2-ACETYLTHIOPHENE, Ketone, methyl 2-thienyl, Methyl 2-thienyl ketone, alpha-Acetylthiophene, Ethanone, 1-(2-thienyl)-, 2-Thienyl methyl ketone, 1-(2-Thienyl)ethanone, Methyl-2-thienyl ketone, 1-thiophen-2-yl-ethanone, THIOPHENE,2-ACETYL, WLN: T5SJ BV1, A22602_ALDRICH, W503509_ALDRICH, NSC 2345, 01490_FLUKA, EINECS 201-804-6, NSC2345, AIDS018339

Molecular Formula: C6H6OSMolecular Weight: 126.176240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WYJOVVXUZNRJQY-UHFFFAOYSA-N

• 2-Bromo Nitrobenzene
IUPAC Name: 1-bromo-2-nitrobenzene | CAS Registry Number: 577-19-5
Synonyms: 1-Bromo-2-nitrobenzene, o-Nitrobromobenzene, 2-Bromonitrobenzene, 2-Nitrobromobenzene, O-BROMONITROBENZENE, Benzene, 1-bromo-2-nitro-, o-Nitrophenyl bromide, Ambap5905, O-BROMONITROBENZINE, CCRIS 3113, ghl.PD_Mitscher_leg0.917, 273961_ALDRICH, 365424_ALDRICH, 17690_FLUKA, EINECS 209-409-0, UN2732, AIDS019388, NSC 403836, AIDS-019388, CID11341

Molecular Formula: C6H4BrNO2Molecular Weight: 202.005460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ORPVVAKYSXQCJI-UHFFFAOYSA-N

• 2-Bromopyridine
IUPAC Name: 2-bromopyridine | CAS Registry Number: 109-04-6
Synonyms: 2-BROMOPYRIDINE, o-Bromopyridine, Pyridine, 2-bromo-, 2-Pyridyl bromide, beta-Bromopyridine, alpha-Bromopyridine, .alpha.-Bromopyridine, .beta.-Bromopyridine, PYRIDINE,2-BROMO, WLN: T6NJ BE, B80100_ALDRICH, NSC 8031, CHEBI:51574, EINECS 203-641-6, NSC8031, AIDS020378, AIDS-020378, BRN 0105789, SBB003999, ZINC00158586

Molecular Formula: C5H4BrNMolecular Weight: 157.995960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IMRWILPUOVGIMU-UHFFFAOYSA-N

• 2-Chlorobenzotrifluoride
IUPAC Name: 1-chloro-2-(trifluoromethyl)benzene | CAS Registry Number: 88-16-4
Synonyms: o-Chlorobenzotrifluoride, Chlorobenzotrifluoride, 2-Chloro-benzotrifluoride, (Trifluoromethyl)chlorobenzene, 1-Chloro-2-(trifluoromethyl)benzene, o-(Trifluoromethyl)chlorobenzene, 2-Chloro(trifluoromethyl)benzene, CCRIS 2809, o-(Trifluoromethyl)phenyl chloride, C26003_ALDRICH, Benzene, chloro(trifluoromethyl)-, Benzene, 1-chloro-2-(trifluoromethyl)-, EINECS 201-805-1, CHLORO(TRIFLUOROMETHYL)BENZENE, NSC 10307, NSC10307, 2-Chloro-alpha,alpha,alpha-trifluorotoluene, LS-1879, o-Chloro-alpha,alpha,alpha-trifluorotoluene, NCGC00091794-01

Molecular Formula: C7H4ClF3Molecular Weight: 180.554870 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DGRVQOKCSKDWIH-UHFFFAOYSA-N

• 2-Heptanone
IUPAC Name: heptan-2-one | CAS Registry Number: 110-43-0
Synonyms: Butylacetone, 2-HEPTANONE, Heptan-2-one, n-Amyl methyl ketone, Amyl methyl ketone, Methyl pentyl ketone, Methyl n-amyl ketone, Methyl amyl ketone, Heptanone, Pentyl methyl ketone, n-Pentyl methyl ketone, Methyl-n-amylketone, Ketone, methyl pentyl, Ketone C-7, Methyl n-pentyl ketone, Amyl-methyl-cetone, Methyl-amyl-cetone, 2-Heptanone (natural), FEMA Number 2544, Methyl-n-pentyl ketone

Molecular Formula: C7H14OMolecular Weight: 114.185460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CATSNJVOTSVZJV-UHFFFAOYSA-N

• 2-Hexanone
IUPAC Name: hexan-2-one | CAS Registry Number: 591-78-6
Synonyms: 2-HEXANONE, Propylacetone, n-Butyl methyl ketone, Hexan-2-one, Hexanone, 2-Oxohexane, Butyl methyl ketone, Hexanone-2, Methyl butyl ketone, Ketone, butyl methyl, Methyl N-butyl ketone, HSDB 543, 47733U_SUPELCO, 2-Hexanone Methyl n-butyl ketone, 103004_ALDRICH, 02473_FLUKA, EINECS 209-731-1, BRN 1737676, ZINC02034597, LS-75436

Molecular Formula: C6H12OMolecular Weight: 100.158880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QQZOPKMRPOGIEB-UHFFFAOYSA-N

• 3,4-Methylenedioxy Nitrobenzene
IUPAC Name: 5-nitro-1,3-benzodioxole | CAS Registry Number: 2620-44-2
Synonyms: 5-Nitrobenzodioxole, Methylenedioxynitrobenzene, 5-Nitro-1,3-benzodioxole, 1,3-Benzodioxole, 5-nitro-, 3,4-Methylenedioxynitrobenzene, 1,2-(Methylenedioxy)-4-nitrobenzene, 161500_ALDRICH, NSC5562, 3,4-(Methylenedioxy)-1-nitrobenzene, NSC 5562, EINECS 220-055-6, STK318151, ZINC00566580, Benzene, 1,2-(methylenedioxy)-4-nitro-, ST5406750, InChI=1/C7H5NO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H

Molecular Formula: C7H5NO4Molecular Weight: 167.118900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: SNWQAKNKGGOVMO-UHFFFAOYSA-N

• 4-Chloro-2-Acetamino-Toluene
IUPAC Name: N-(5-chloro-2-methylphenyl)acetamide | CAS Registry Number: 5900-55-0
Synonyms: 5-Chloro-2-methylacetanilide, o-Acetotoluidide, 5'-chloro-, 5'-Chloro-2'-methylacetanilide, N-(5-Chloro-2-methylphenyl)acetamide, EINECS 227-592-5, NSC404301, ZINC00331181, Acetamide, N-(5-chloro-2-methylphenyl)-, ST5443062, AC-907/25004932

Molecular Formula: C9H10ClNOMolecular Weight: 183.634800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: AQHVWJACZZWZPW-UHFFFAOYSA-N

• 2-Bromo-1,3,5-trifluorobenzene
IUPAC Name: 2-bromo-1,3,5-trifluorobenzene | CAS Registry Number: 2367-76-2
Synonyms: 1-Bromo-2,4,6-trifluorobenzene, 2,4,6-Trifluorobromobenzene, 247987_ALDRICH, Benzene, 2-bromo-1,3,5-trifluoro-, CID75398, EINECS 219-125-9, TE3097, ST5408595, TL8001955, InChI=1/C6H2BrF3/c7-6-4(9)1-3(8)2-5(6)10/h1-2

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

InChIKey: PZBSPSOGEVCRQI-UHFFFAOYSA-N

• 2-Methoxy-3-ethylpyrazine
IUPAC Name: 2-ethyl-3-methoxypyrazine | CAS Registry Number: 25680-58-4
Synonyms: 2-ETHYL-3-METHOXYPYRAZINE, Pyrazine, 2-ethyl-3-methoxy-, W514403_ALDRICH, 293806_ALDRICH, EINECS 247-184-0, ZINC00409299, InChI=1/C7H10N2O/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H

Molecular Formula: C7H10N2OMolecular Weight: 138.167100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DPCILIMHENXHQX-UHFFFAOYSA-N

• 2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole
IUPAC Name: 2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol | CAS Registry Number: 3147-75-9
Synonyms: OCTRIZOLE, UV Absorber-5, Sumisorb 340, Seesorb 709, Tinuvin 329, Viosorb 583, Cyasorb 5411, Cyasorb UV 5411, Octrizole [USAN:INN], Octrizol [INN-Spanish], Octrizolum [INN-Latin], Spectra-Sorb UV 5411, Octrizole (USAN/INN), Oprea1_301042, 322806_ALDRICH, 2-Benzotriazolyl-4-tert-octylphenol, EINECS 221-573-5, ZINC01849911, 2-(2-Hydroxy-5-t-octylphenyl)benzotriazole, 2-(5-t-Octyl-2-hydroxyphenyl)benzotriazole

Molecular Formula: C20H25N3OMolecular Weight: 323.432000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: IYAZLDLPUNDVAG-UHFFFAOYSA-N

• 5-Bromo-2-fluorotoluene
IUPAC Name: 4-bromo-1-fluoro-2-methylbenzene | CAS Registry Number: 51437-00-4
Synonyms: 283495_ALDRICH, 17105_FLUKA, Benzene, 4-bromo-1-fluoro-2-methyl-, EINECS 257-202-9, ST5405489, TL8003405, InChI=1/C7H6BrF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H

Molecular Formula: C7H6BrFMolecular Weight: 189.024943 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VXKYOKPNAXNAFU-UHFFFAOYSA-N

• 3-Methoxysalicylic acid
IUPAC Name: 2-hydroxy-3-methoxybenzoic acid | CAS Registry Number: 877-22-5
Synonyms: o-Vanillic acid, Acide orthovanillique, 3-Hydroxy-m-anisic acid, 2-Hydroxy-3-methoxybenzoic acid, m-Anisic acid, 2-hydroxy-, WLN: QVR BQ CO1, Benzoic acid, 2-hydroxy-3-methoxy-, 196495_ALDRICH, 55546_FLUKA, EINECS 212-888-9, AIDS018088, NSC 134533, NSC 408167, AIDS-018088, BRN 2209642, NSC134533, NSC408167, LS-20097, ST5406420, Benzoic acid, 2-hydroxy-3-methoxy- (9CI)

Molecular Formula: C8H8O4Molecular Weight: 168.146720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: AUZQQIPZESHNMG-UHFFFAOYSA-N

• 2-ethyl-3,5-dimethylpyrazine
IUPAC Name: 2-ethyl-3,5-dimethylpyrazine | CAS Registry Number: 55031-15-7
Synonyms: 2-ETHYL-3,5-DIMETHYLPYRAZINE, 3,5-Dimethyl-2-ethylpyrazine, 13925-07-0, Pyrazine, 2-ethyl-3,5-dimethyl-, FEMA 3150, 2,6-Dimethyl-3-ethylpyrazine, 3-Ethyl-2,6-dimethylpyrazine, Pyrazine, 2,6-dimethyl-3-ethyl-, Pyrazine, 3,5-dimethyl-2-ethyl-, UNII-R182EY5L8C, FEMA No. 3149, 2-Ethyl-3,5-dimethyl pyrazine, EINECS 237-694-1, BRN 0636984, ACMC-1AJVY, AC1L1AX6, MLS000517293, SCHEMBL108874, CHEMBL328856, R182EY5L8C

Molecular Formula: C8H12N2Molecular Weight: 136.194280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JZBCTZLGKSYRSF-UHFFFAOYSA-N

• 4,4'-Dinitrobibenzyl
IUPAC Name: 1-nitro-4-[2-(4-nitrophenyl)ethyl]benzene | CAS Registry Number: 736-30-1
Synonyms: 4,4'-Dinitrodibenzyl, p,p'-Dinitrobibenzyl, p,p'-Dinitrodibenzyl, Bibenzyl, 4,4'-dinitro-, 1,2-Bis(4-nitrophenyl)ethane, 1,2-Bis(p-nitrophenyl)ethane, Dinitro-4,4' dibenzyle, NSC 608, NCIOpen2_002512, Dinitro-4,4' dibenzyle [French], NSC608, 1,2-Ethanediylbis(4-nitrobenzene), EINECS 212-001-5, NSC 60022, 1,2-Ethanediylbis[4-nitrobenzene], CID69776, NSC60022, Bibenzyl, 4,4'-dinitro- (8CI), STK005038, ZINC01596369

Molecular Formula: C14H12N2O4Molecular Weight: 272.256080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: BSNKHEKTRWNNAC-UHFFFAOYSA-N

• 1-Nitroanthraquinone
IUPAC Name: 1-nitroanthracene-9,10-dione | CAS Registry Number: 82-34-8
Synonyms: 1-Nitroanthrachinon, 1-NITROANTHRAQUINONE, Anthraquinone, 1-nitro-, alpha-Nitroanthraquinone, 1-Nitro-anthraquinone, 1-Nitroanthrachinon [Czech], .alpha.-Nitroanthraquinone, 9,10-Anthracenedione, 1-nitro-, 1-nitroanthra-9,10-quinone, EINECS 201-413-0, CID6704, NSC 12125, NSC12125, WLN: L C666 BV IVJ DNW, ZINC03850744, BAS 00337029, LS-20706

Molecular Formula: C14H7NO4Molecular Weight: 253.209680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: YCANAXVBJKNANM-UHFFFAOYSA-N

• 1,6-Dibromohexane
IUPAC Name: 1,6-dibromohexane | CAS Registry Number: 629-03-8
Synonyms: Hexamethylene dibromide, 1,6-Dibromo-n-hexane, 1,6-Dibromohexan, alpha,omega-Dibromohexane, HEXANE, 1,6-DIBROMO-, 1,6-Dibromohexan [German], WLN: E6E, D41007_ALDRICH, 1,6-Dibromohexan [German], NSC 7306, 34191_FLUKA, EINECS 211-067-2, NSC7306, CID12368, BRN 1236322, AI3-11008, LS-75065, TL8004310, 4-01-00-00354 (Beilstein Handbook Reference), InChI=1/C6H12Br2/c7-5-3-1-2-4-6-8/h1-6H

Molecular Formula: C6H12Br2Molecular Weight: 243.967480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SGRHVVLXEBNBDV-UHFFFAOYSA-N

• 2-Bromo-3-methylbutyric acid
IUPAC Name: 2-bromo-3-methylbutanoic acid | CAS Registry Number: 565-74-2
Synonyms: 2-Bromoisovaleric acid, alpha-Bromoisovaleric acid, 2-Bromo-3-methylbutanoic acid, Butyric acid, 2-bromo-3-methyl-, Butanoic acid, 2-bromo-3-methyl-, .alpha.-Bromoisovaleric acid, NSC 167, 251003_ALDRICH, NSC167, 17460_FLUKA, EINECS 209-291-0, NSC6967, BB_SC-0176, BRN 1721146, AI3-21065, 2-BROMO-3-METHYL-BUTANOIC ACID, LS-47883, (+/-)-2-BROMO-3-METHYLBUTYRIC ACID, Butanoic acid, 2-bromo-3-methyl-, (.+/-.)-, InChI=1/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8

Molecular Formula: C5H9BrO2Molecular Weight: 181.027760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UEBARDWJXBGYEJ-UHFFFAOYSA-N

• (S)-3-Chloro-1,2-propanediol
IUPAC Name: (2S)-3-chloropropane-1,2-diol | CAS Registry Number: 60827-45-4
Synonyms: alpha-Chlorohydrin, (S)-alpha-Chlorohydrin, sGPhMQDIK]UQX@, S-3-Chloro-1,2-propanediol, 3-Chloropropane-1,2-diol, CCRIS 7386, 1,2-Propanediol, 3-chloro-, 540064_ALDRICH, (S)-alpha-Glycerol chlorohydrin, 26077_FLUKA, 1,2-Propanediol, 3-chloro-, (S)-, ZINC02041174, (S)-()-3-Chloro-1,2-propanediol, (S)-(+)-3-Chloro-1,2-propanediol, LS-120253, TL8003855, InChI=1/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H, 96-24-2

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

InChIKey: SSZWWUDQMAHNAQ-GSVOUGTGSA-N

• 2,4-Dimethoxy-6-chloropyrimidine
IUPAC Name: 4-chloro-2,6-dimethoxypyrimidine | CAS Registry Number: 6320-15-6
Synonyms: C36408_ALDRICH, 6-Chloro-2,4-dimethoxypyrimidine, NSC31796, 4-Chloro-2,6-dimethoxypyrimidine, CID80600, EINECS 228-669-6, ZINC00399489, Pyrimidine, 4-chloro-2,6-dimethoxy-, ST5410866

Molecular Formula: C6H7ClN2O2Molecular Weight: 174.584980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JHNRTJRDRWKAIW-UHFFFAOYSA-N

• 2,5-Diamino-1,3-benzenedisulfonic acid
IUPAC Name: 2,5-diaminobenzene-1,3-disulfonic acid | CAS Registry Number: 6409-48-9
Synonyms: 2,5-diaminobenzene-1,3-disulfonic acid, 2,5-DIAMINO-1,3-BENZENEDISULFONIC ACID, AGN-PC-00OMHL, CTK2F2940, MolPort-005-942-899, AKOS015891341, AG-G-40158, p-Phenylenediamine-2,6-disulfonic acid, AK112360, 1,3-Benzenedisulfonicacid, 2,5-diamino-, 1,3-Benzenedisulfonic acid, 2,5-diamino-, KB-165213, 2,5-bis(azanyl)benzene-1,3-disulfonic acid, FT-0636139, A834638, I01-9820, m-Benzenedisulfonicacid, 2,5-diamino- (7CI,8CI); 1,4-Diamino-2,6-benzenedisulfonic acid;1,4-Phenylenediamine-2,6-disulfonic acid; 2,5-Diamino-1,3-benzenedisulfonicacid; p-Phenylenediamine-2,6-disulfonic acid

Molecular Formula: C6H8N2O6S2Molecular Weight: 268.267520 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: QGNJPFLIBOTDKU-UHFFFAOYSA-N

• 2,4,6-Trichlorobenzonitrile
IUPAC Name: 2,4,6-trichlorobenzonitrile | CAS Registry Number: 6575-05-9
Synonyms: ZINC00167063, CID522179, ST5406943

Molecular Formula: C7H2Cl3NMolecular Weight: 206.456480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PGODHCIOIPODFE-UHFFFAOYSA-N

• (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
IUPAC Name: (1R,2R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol | CAS Registry Number: 716-61-0
Synonyms: Levoamine, Chloramphenicol base, A70704_ALDRICH, EINECS 211-938-7, LS-120138, TL8005023, D-(-)Threo-2-amino-1-(p-nitrophenyl)propane-1,3-diol, D-threo-(-)-2-Amino-1-(p-nitrophenyl)-1,3-propanediol, 1,3-Propanediol, 2-amino-1-(p-nitrophenyl)-, D-threo-(-)-, (1R,2R)-(−)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol, D-(−)-threo-2-Amino-1-(p-nitrophenyl)-1,3-propanediol

Molecular Formula: C9H12N2O4Molecular Weight: 212.202580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: OCYJXSUPZMNXEN-RKDXNWHRSA-N

• 1,2-dichloro-4,5-dinitro-benzene
IUPAC Name: 1,2-dichloro-4,5-dinitrobenzene | CAS Registry Number: 6306-39-4
Synonyms: Parazol, 1,2-Dichloro-4,5-dinitrobenzene, 1,2diCl4,5diNO2Ph, 4,5-Dichloro-1,2-dinitrobenzene, WLN: WNR CG DG FNW, Benzene, 1,2-dichloro-4,5-dinitro-, 300365_ALDRICH, NSC 22945, AIDS006011, AIDS-006011, CID80565, NSC22945, BRN 2460868, AI3-19504, LS-29796, 4-05-00-00747 (Beilstein Handbook Reference)

Molecular Formula: C6H2Cl2N2O4Molecular Weight: 236.997080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: IGSAVPVCQHAPSM-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

• 4-Hydroxymetanilic acid
IUPAC Name: 3-amino-4-hydroxybenzenesulfonic acid | CAS Registry Number: 98-37-3
Synonyms: 2-Amino-4-sulfophenol, 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, LS-2044

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


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