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• 3,4,5-Trimethoxybenzylamine

IUPAC Name: (3,4,5-trimethoxyphenyl)methanamine | CAS Registry Number: 18638-99-8
Synonyms: NCIOpen2_001669, 338931_ALDRICH, NSC101336, CID87736, EINECS 242-468-0, BBV-156958, Benzenemethanamine, 3,4,5-trimethoxy-, InChI=1/C10H15NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6,11H2,1-3H

Molecular Formula:	C₁₀H₁₅NO₃	Molecular Weight:	197.231000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: YUPUSBMJCFBHAP-UHFFFAOYSA-N

• 3,4,5-Trimethoxyphenylacetonitrile

IUPAC Name: 2-(3,4,5-trimethoxyphenyl)acetonitrile | CAS Registry Number: 13338-63-1
Synonyms: 3,4,5-Trimethoxybenzyl cyanide, 3,4,5-Trimethoxybenzylnitrile, 3,4,5-Trimethoxyphenylacetylnitryl, 113360_ALDRICH, 3,4,5-Trimethoxybenzeneacetonitrile, EINECS 236-388-5, Benzeneacetonitrile, 3,4,5-trimethoxy-, NSC 97556, NSC97556, BRN 2214548, ZINC00157020, (3,4,5-Trimethoxyphenyl)acetonitrile, 3,4,5-(Trimethoxyphenyl)acetonitrile, ACETONITRILE, (3,4,5-TRIMETHOXYPHENYL)-, LS-13316, ST5308013, Benzeneacetonitrile, 3,4,5-trimethoxy- (9CI), 4-10-00-02033 (Beilstein Handbook Reference), InChI=1/C11H13NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4H2,1-3H

Molecular Formula:	C₁₁H₁₃NO₃	Molecular Weight:	207.225820 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: ACFJNTXCEQCDBX-UHFFFAOYSA-N

• 3,4-Dichloronitrobenzene

IUPAC Name: 1,2-dichloro-4-nitrobenzene | CAS Registry Number: 99-54-7
Synonyms: DCNB, 1,2-Dichloro-4-nitrobenzene, 3,4-DICHLORONITROBENZENE, 1-Nitro-3,4-dichlorobenzene, Ambap312, Benzene, 1,2-dichloro-4-nitro-, 3,4-Dichlornitrobenzen, WLN: WNR CG DG, CCRIS 3097, D68800_ALDRICH, 3,4-Dichlornitrobenzen [Czech], asym.-Nitro-o-dichlorobenzene, HSDB 4252, 3,4-Dichloronitrobenzen [Czech], 35831_RIEDEL, NSC 6295, AI3-03268 (USDA), EINECS 202-764-2, CID7443, NSC6295

Molecular Formula:	C₆H₃Cl₂NO₂	Molecular Weight:	191.999520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: NTBYINQTYWZXLH-UHFFFAOYSA-N

• 3,4-Dihydroxybenzeneacetic acid

IUPAC Name: 2-(3,4-dihydroxyphenyl)acetic acid | CAS Registry Number: 102-32-9
Synonyms: Dopac, Dopacetic acid, 3,4-Dihydroxyphenylacetic acid, Homoprotocatechuic acid, Homogentisic acid, Homoprotocatechuate, 3pcn, Dihydroxyphenylacetic acid, Ambap110, 1ai4, 3,4-dihydroxyphenylacetate, Lopac-D-9128, Benzeneacetic acid, 3,4-dihydroxy-, Acetic acid, (3,4-dihydroxyphenyl)-, CCRIS 3765, 3,4-Dihydroxyphenyl acetate, NCIOpen2_000518, Lopac0_000414, 3,4-dihydroxyphenyl acetic acid, 3,4-DHPOP

Molecular Formula:	C₈H₈O₄	Molecular Weight:	168.146720 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: CFFZDZCDUFSOFZ-UHFFFAOYSA-N

• 3,4-Dimethoxy-5-hydroxybenzaldehyde

IUPAC Name: 3-hydroxy-4,5-dimethoxybenzaldehyde | CAS Registry Number: 29865-90-5
Synonyms: Ambap268, 5-Hydroxyveratraldehyde, 258717_ALDRICH, 3-Hydroxy-4,5-dimethoxybenzaldehyde, Benzaldehyde, 3-hydroxy-4,5-dimethoxy-, FR-2371, InChI=1/C9H10O4/c1-12-8-4-6(5-10)3-7(11)9(8)13-2/h3-5,11H,1-2H

Molecular Formula:	C₉H₁₀O₄	Molecular Weight:	182.173300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: NVLTWXMZECWWPC-UHFFFAOYSA-N

• 3,4-Dimethoxybenzophenone

IUPAC Name: (3,4-dimethoxyphenyl)-phenylmethanone | CAS Registry Number: 4038-14-6
Synonyms: Oprea1_124417, Oprea1_625204, NSC145888, (3,4-Dimethoxyphenyl)-phenyl-methanon, Methanone, (3,4-dimethoxyphenyl)phenyl-, ST5437032

Molecular Formula:	C₁₅H₁₄O₃	Molecular Weight:	242.269860 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: WCNOATOQNSHEFK-UHFFFAOYSA-N

• 3,5-Dihydroxy-4-methylbenzoic acid

IUPAC Name: 3,5-dihydroxy-4-methylbenzoic acid | CAS Registry Number: 28026-96-2
Synonyms: CID2748045, ST5407062, TL8002237, InChI=1/C8H8O4/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3,9-10H,1H3,(H,11,12

Molecular Formula:	C₈H₈O₄	Molecular Weight:	168.146720 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: KMRRXSZDSGYLCD-UHFFFAOYSA-N

• 3,5-dimethoxy-4-hydroxybenzylamine

IUPAC Name: 4-(aminomethyl)-2,6-dimethoxyphenol | CAS Registry Number: 4973-51-7
Synonyms: 4-(aminomethyl)-2,6-dimethoxyphenol, AGN-PC-00NYD8, SureCN1999631, AC1Q48G1, CTK6J7948, MolPort-005-992-190, AKOS005360084, AG-B-99474, MCULE-5099652933, Phenol, 4-(aminomethyl)-2,6-dimethoxy-, 3,5-DIMETHOXY-4-HYDROXYBENZYLAMINE, EN300-56896

Molecular Formula:	C₉H₁₃NO₃	Molecular Weight:	183.204420 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: CGJYLAHPPGNUGT-UHFFFAOYSA-N

• 3,5-Dimethoxy-4-hydroxyphenylacetic acid

IUPAC Name: 2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid | CAS Registry Number: 4385-56-2
Synonyms: Homosyringic acid, Ambap4827, 631310_ALDRICH, EINECS 224-494-4, 4-Hydroxy-3,5-dimethoxyphenylacetic acid, 3,5-DIMETHOXY-4-HYDROXY-PHENYLACETIC ACID

Molecular Formula:	C₁₀H₁₂O₅	Molecular Weight:	212.199280 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: BQBQKSSTFGCRQL-UHFFFAOYSA-N

• 3,5-Dimethoxybenzoic Acid

IUPAC Name: 3,5-dimethoxybenzoic acid | CAS Registry Number: 1132-21-4
Synonyms: 3,5-DIMETHOXYBENZOIC ACID, Benzoic acid, 3,5-dimethoxy-, D132004_ALDRICH, NSC8514, AIDS018092, AIDS-018092, NSC 8514, NSC43744, EINECS 214-473-8, NSC 43744, SBB007798, AI3-52341, TL8000393, AK-968/40724491, InChI=1/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11

Molecular Formula:	C₉H₁₀O₄	Molecular Weight:	182.173300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: IWPZKOJSYQZABD-UHFFFAOYSA-N

• 3,5-Dimethoxybenzonitrile

IUPAC Name: 3,5-dimethoxybenzonitrile | CAS Registry Number: 19179-31-8
Synonyms: BENZONITRILE, 3,5-DIMETHOXY-, D132330_ALDRICH, NSC73710, EINECS 242-858-0, NSC 73710, CID29482, BRN 0776115, SBB008557, ZINC00161718, FR-2258, LS-38693, TL8001567, 3-10-00-01449 (Beilstein Handbook Reference), InChI=1/C9H9NO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,1-2H

Molecular Formula:	C₉H₉NO₂	Molecular Weight:	163.173260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: NVTHWSJNXVDIKR-UHFFFAOYSA-N

• 3,5-Dimethyl-4-hydroxybenzaldehyde

IUPAC Name: 4-hydroxy-3,5-dimethylbenzaldehyde | CAS Registry Number: 2233-18-3
Synonyms: 4-Formyl-2,6-xylenol, 4-Hydroxy-3,5-dimethylbenzaldehyde, 140392_ALDRICH, Benzaldehyde, 4-hydroxy-3,5-dimethyl-, EINECS 218-774-5, NSC128405, ZINC00152673, NSC 128405, ST5135990, InChI=1/C9H10O2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-5,11H,1-2H

Molecular Formula:	C₉H₁₀O₂	Molecular Weight:	150.174500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: UYGBSRJODQHNLQ-UHFFFAOYSA-N

• 3,5-Dinitro acetophenone

IUPAC Name: 1-(3,5-dinitrophenyl)ethanone | CAS Registry Number: 14401-75-3
Synonyms: 3',5'-Dinitroacetophenone, NCIOpen2_005176, 631299_ALDRICH, NSC87635, CID258569, ST5437034

Molecular Formula:	C₈H₆N₂O₅	Molecular Weight:	210.143640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: WGJQPJOLPLYFJH-UHFFFAOYSA-N

• 3-(3-Chlorophenyl)propanoic Acid

IUPAC Name: 3-(3-chlorophenyl)propanoic acid | CAS Registry Number: 21640-48-2
Synonyms: 631302_ALDRICH, 3-(3-chlorophenyl)propanoic acid, 3-(3-Chlorophenyl)propionic acid, 3-(3-Chloro-phenyl)-propionic acid, CID177164, BAS 10861260, BBV-096853, AJ-087/41885649

Molecular Formula:	C₉H₉ClO₂	Molecular Weight:	184.619560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CLTDVBQNUHHYCA-UHFFFAOYSA-N

• 3-(4-Bromophenyl)propionic acid

IUPAC Name: 3-(4-bromophenyl)propanoic acid | CAS Registry Number: 1643-30-7
Synonyms: 3-(4-bromophenyl)propanoic acid, 3-(4-bromophenyl)propanoicacid, 3-(4-bromo-phenyl)-propionic acid, SBB017617, AG-E-14151, PubChem19769, SureCN5455, AC1MC3PA, ACMC-1C0VM, 4-Bromophenylpropionic Acid, KSC494I3B, 595438_ALDRICH, benzenepropanoic acid, 4-bromo-, CHEMBL1829799, CTK3J4430, MolPort-000-152-357, 3-(4-bromophenyl) propionic acid, HMS1739G14, ACN-C000966, ACN-S004294

Molecular Formula:	C₉H₉BrO₂	Molecular Weight:	229.070560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: NCSTWHYWOVZDOC-UHFFFAOYSA-N

• 3-(Bromoacetyl)coumarin

IUPAC Name: 3-(2-bromoacetyl)chromen-2-one | CAS Registry Number: 29310-88-1
Synonyms: 579920_ALDRICH, ZINC02566370, SBB006443, CID2063461

Molecular Formula:	C₁₁H₇BrO₃	Molecular Weight:	267.075480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: NTYOLVNSXVYRTJ-UHFFFAOYSA-N

• 3-Acetylbenzoic acid

IUPAC Name: 3-acetylbenzoic acid | CAS Registry Number: 586-42-5
Synonyms: NSC2932, 253839_ALDRICH, ALBB-006410, CID220324, ACETOPHENONE-3-CARBOXYLIC ACID, ST5405626

Molecular Formula:	C₉H₈O₃	Molecular Weight:	164.158020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: CHZPJUSFUDUEMZ-UHFFFAOYSA-N

• 3-Acetylcoumarin

IUPAC Name: 3-acetylchromen-2-one | CAS Registry Number: 3949-36-8
Synonyms: Coumarin, 3-acetyl-, Maybridge1_000885, Prestwick0_000891, Prestwick1_000891, Prestwick2_000891, Prestwick3_000891, 2H-1-Benzopyran-2-one, 3-acetyl-, BSPBio_000702, MLS002154052, SPBio_002911, 214671_ALDRICH, BPBio1_000774, NSC31678, AIDS121027, AIDS-121027, EINECS 223-541-6, NSC 31678, SBB008168, ZINC00057909, NCGC00016644-01

Molecular Formula:	C₁₁H₈O₃	Molecular Weight:	188.179420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: CSPIFKKOBWYOEX-UHFFFAOYSA-N

• 3-Amino-5-nitrobenzoic acid

IUPAC Name: 3-amino-5-nitrobenzoic acid | CAS Registry Number: 618-84-8
Synonyms: Benzoic acid, 3-amino-5-nitro-, 3-Amino-5-nitro-benzoic acid, ZERO/001510, NSC44297

Molecular Formula:	C₇H₆N₂O₄	Molecular Weight:	182.133540 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: ZNVHAQRPXAQKRU-UHFFFAOYSA-N

• 3-Aminobenzophenone

IUPAC Name: (3-aminophenyl)-phenylmethanone | CAS Registry Number: 2835-78-1
Synonyms: 3-Benzoylaniline, m-Aminobenzophenone, Methanone, (3-aminophenyl)phenyl-, BENZOPHENONE, 3-AMINO-, NCIOpen2_001023, 255254_ALDRICH, EINECS 220-614-4, NSC 86511, NSC86511, BRN 2209413, ZINC00153255, SDCCGMLS-0065869.P001, LS-38869, ST5411474, 4-14-00-00247 (Beilstein Handbook Reference), InChI=1/C13H11NO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H,14H

Molecular Formula:	C₁₃H₁₁NO	Molecular Weight:	197.232540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: FUADXEJBHCKVBN-UHFFFAOYSA-N

• 3-Bromo-4-methylphenol

IUPAC Name: 3-bromo-4-methylphenol | CAS Registry Number: 60710-39-6
Synonyms: 3-BROMO-4-METHYLPHENOL, 2-Bromo-4-hydroxytoluene, AG-G-20617, 3-Bromo-p-cresol, ACMC-209mlm, SureCN911723, 3-bromanyl-4-methyl-phenol, KSC494C1P, CTK3J4117, MolPort-008-266-637, ACT00914, ANW-33560, ZINC12359519, AKOS010179647, MCULE-3535164244, OR17017, RP24704, AK-35826, AM804124, BR-35826

Molecular Formula:	C₇H₇BrO	Molecular Weight:	187.033880 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: GMZKNRDHSHYMHG-UHFFFAOYSA-N

• 3-Bromo-5-iodobenzoic acid

IUPAC Name: 3-bromo-5-iodobenzoate | CAS Registry Number: 188815-32-9
Synonyms: ZINC00156377, CID6931515

Molecular Formula:	C₇H₃BrIO₂-	Molecular Weight:	325.905990 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: MKJBJYCBKXPQSY-UHFFFAOYSA-M

• 3-bromofuran

IUPAC Name: 3-bromofuran | CAS Registry Number: 22037-28-1
Synonyms: 3-Bromofuran, Furan, 3-bromo-, .beta.-Bromofuran, 176524_ALDRICH, EINECS 244-744-6, SBB004098, ZINC02141003, InChI=1/C4H3BrO/c5-4-1-2-6-3-4/h1-3

Molecular Formula:	C₄H₃BrO	Molecular Weight:	146.970020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: LXWLEQZDXOQZGW-UHFFFAOYSA-N

• 3-Bromophenylacetic acid

IUPAC Name: 2-(3-bromophenyl)acetic acid | CAS Registry Number: 1878-67-7
Synonyms: M-BROMOPHENYLACETIC ACID, Benzeneacetic acid, 3-bromo-, (3-Bromophenyl)acetic acid, 288861_ALDRICH, CID74653, EINECS 217-522-1, FS000812, TL806174, ST5306960

Molecular Formula:	C₈H₇BrO₂	Molecular Weight:	215.043980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: KYNNBXCGXUOREX-UHFFFAOYSA-N

• 3-Chloro-4-Fluoroaniline

IUPAC Name: 3-chloro-4-fluoroaniline | CAS Registry Number: 367-21-5
Synonyms: 3-CHLORO-4-FLUOROANILINE, Aniline, 3-chloro-4-fluoro-, Benzenamine, 3-chloro-4-fluoro-, 228583_ALDRICH, 45958_RIEDEL, CID9708, ZINC00157622, NSC10290, EINECS 206-682-8, NSC 10290, C104, TL806163, ST5213737, C-3925, InChI=1/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H

Molecular Formula:	C₆H₅ClFN	Molecular Weight:	145.562003 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YSEMCVGMNUUNRK-UHFFFAOYSA-N

• 3-CHLOROCOUMARIN

IUPAC Name: 3-chlorochromen-2-one | CAS Registry Number: 92-45-5
Synonyms: 3-Chlorocoumarin, Coumarin, 3-chloro-, Ambcb5102979, 3-Chloro-2H-chromen-2-one, NSC54855, 2H-1-Benzopyran-2-one, 3-chloro-, 579572_ALDRICH, MolPort-002-130-138, AIDS124841, HMS1607G19, 3-Chloro-2H-1-benzopyran-2-one, AIDS-124841, CID96133, NSC 54855, ZINC00225812, C2297

Molecular Formula:	C₉H₅ClO₂	Molecular Weight:	180.587800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: CKCOPMSBJBNBCQ-UHFFFAOYSA-N

• 3-Chromonecarbaldehyde

IUPAC Name: 4-oxochromene-3-carbaldehyde | CAS Registry Number: 17422-74-1
Synonyms: 3-Formylchromone, Chromone-3-carboxaldehyde, 383449_ALDRICH, 4H-1-Benzopyran-3-carboxaldehyde, 4-oxo-, AIDS337629, 4-Oxo-4H-chromene-3-carbaldehyde, AIDS-337629, EINECS 241-451-5, NSC291317, ZINC00057727, 4-Oxo-4H-1-benzopyran-3-carboxaldehyde, NCI60_002396, ST5307796, InChI=1/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6

Molecular Formula:	C₁₀H₆O₃	Molecular Weight:	174.152840 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: FSMYWBQIMDSGQP-UHFFFAOYSA-N

• 3-Cyano-4-methylcoumarin

IUPAC Name: 4-methyl-2-oxochromene-3-carbonitrile | CAS Registry Number: 24526-69-0
Synonyms: 438618_ALDRICH, Coumarine, 3-cyano-4-methyl-, NSC26773, NSC94732, ZINC00050481, 4-Methyl-2-oxo-2H-chromene-3-carbonitrile, 2H-1-Benzopyran-3-carbonitrile, 4-methyl-2-oxo-, A0781/0036561, InChI=1/C11H7NO2/c1-7-8-4-2-3-5-10(8)14-11(13)9(7)6-12/h2-5H,1H

Molecular Formula:	C₁₁H₇NO₂	Molecular Weight:	185.178780 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: FFBLBFMTKGSSPY-UHFFFAOYSA-N

• 3-CYANO-4-TRIFLUOROMETHYL-6-(4'-METHOXYPHENYL)-PYRIDINE-2-ONE

IUPAC Name: 6-(4-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile | CAS Registry Number: 147381-61-1
Synonyms: 2-hydroxy-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile, ST50048848, 2T-0873, 6-(4-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile, 6-(4-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile, AC1LJD39, MLS000766641, CHEMBL1470154, PKCBB_00496, MolPort-000-433-884, MolPort-002-863-763, HMS2742L07, STK822653, ZINC13396394, AKOS002168249, AKOS005086757, MCULE-5724500327, AK241558, HE015781, SMR000414616

Molecular Formula:	C₁₄H₉F₃N₂O₂	Molecular Weight:	294.233 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: UEJYFUADCJOTEZ-UHFFFAOYSA-N

• 3-Cyanochromone

IUPAC Name: 4-oxochromene-3-carbonitrile | CAS Registry Number: 50743-17-4
Synonyms: Chromone-3-carbonitrile, Maybridge1_006148, 4-Oxo-4H-chromene-3-carbonitrile, Oprea1_796447, 383481_ALDRICH, ZINC00057724, 4-Oxo-4H-1-benzopyran-3-carbonitrile, ST5331440

Molecular Formula:	C₁₀H₅NO₂	Molecular Weight:	171.152200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: SFWNPLLGXKJESA-UHFFFAOYSA-N

• 3-Cyanocoumarin

IUPAC Name: 2-oxochromene-3-carbonitrile | CAS Registry Number: 15119-34-3
Synonyms: 3-Cyano-coumarin, Maybridge1_000749, Oprea1_612712, 579696_ALDRICH, Coumarin, 3-cyano- (7CI,8CI), STOCK2S-92481, MolPort-001-834-862, 2-oxo-2H-chromene-3-carbonitrile, 2-Oxo-2H-1-benzopyran-3-carbonitrile, BRN 0142122, CID203763, ZINC00058019, 2H-1-Benzopyran-3-carbonitrile, 2-oxo-, LS-39035, 5-18-08-00324 (Beilstein Handbook Reference)

Molecular Formula:	C₁₀H₅NO₂	Molecular Weight:	171.152200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: QKJALQPLNMEDAV-UHFFFAOYSA-N

• 3-HYDROXY-4-METHOXYBENZYLAMINE HCL

IUPAC Name: 5-(aminomethyl)-2-methoxyphenol;hydrochloride | CAS Registry Number: 42365-68-4
Synonyms: 5-(aminomethyl)-2-methoxyphenol hydrochloride, 3-Hydroxy-4-methoxybenzylamine hydrochloride, ACMC-20a7ei, AC1Q3BZS, SureCN1143719, 631337_ALDRICH, CTK8B8510, MolPort-001-760-356, ANW-60520, AKOS016003229, MCULE-7584082750, AK-94902, KB-32139, EN300-40869, 4-(Aminomethyl)-2-hydroxyanisole hydrochloride

Molecular Formula:	C₈H₁₂ClNO₂	Molecular Weight:	189.639380 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: IEVBKUSXLSVMOB-UHFFFAOYSA-N

• 3-Iodo-4-Methylaniline

IUPAC Name: 3-iodo-4-methylaniline | CAS Registry Number: 35944-64-0
Synonyms: 3-Iodo-p-toluidine, p-Toluidine, 3-iodo-, 3-Iodo-4-methylaniline, 4-AMINO-2-IODOTOLUENE, 631264_ALDRICH, Benzenamine, 3-iodo-4-methyl-, EINECS 252-803-2, BRN 2353567, MolPort-001-760-352, CID118889, ZINC02169040, OR13024, Benzenamine, 3-iodo-4-methyl- (9CI), LS-154384, I0717, 2-12-00-00533 (Beilstein Handbook Reference), 29289-13-2

Molecular Formula:	C₇H₈IN	Molecular Weight:	233.049590 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: RRUDMHNAMZFNEK-UHFFFAOYSA-N

• 3-Iodo-4-methylbenzoic acid

IUPAC Name: 3-iodo-4-methylbenzoic acid | CAS Registry Number: 82998-57-0
Synonyms: 278858_ALDRICH, ARONIS023691, ALBB-006209, CID621640, SBB003083, AN-970/40920439, InChI=1/C8H7IO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11

Molecular Formula:	C₈H₇IO₂	Molecular Weight:	262.044450 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: LDDHMKANNXWUAK-UHFFFAOYSA-N

• 3-Iodobenzoic Acid

IUPAC Name: 3-iodobenzoic acid | CAS Registry Number: 618-51-9
Synonyms: m-Iodobenzoic acid, Benzoic acid, 3-iodo-, 3-IODOBENZOIC ACID, Benzoic acid, m-iodo-, 3-Iodo-benzoic acid, nchembio.87-comp36, NCIOpen2_003856, 138584_ALDRICH, Benzoic acid, m-iodo- (8CI), NSC74693, EINECS 210-555-2, NSC 74693, STK286092, TL806453, InChI=1/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10, 2532-18-5

Molecular Formula:	C₇H₅IO₂	Molecular Weight:	248.017870 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: KVBWBCRPWVKFQT-UHFFFAOYSA-N

• 3-Iodobenzylae

IUPAC Name: (3-iodophenyl)methanamine | CAS Registry Number: 696-40-2
Synonyms: Benzylamine der, 3-Iodobenzylamine, meta-Iodobenzylamine, 3-Iodobenzenemethanamine, Benzenemethanamine, 3-iodo-, 100064_ALDRICH, AIDS011093, AIDS-011093, NSC96895, NSC 96895, 3718-88-5 (HYDROCHLORIDE), InChI=1/C7H8IN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H

Molecular Formula:	C₇H₈IN	Molecular Weight:	233.049590 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: LQLOGZQVKUNBRX-UHFFFAOYSA-N

• 3-Methylacetophenone

IUPAC Name: 1-(3-methylphenyl)ethanone | CAS Registry Number: 585-74-0
Synonyms: m-Methylacetophenone, 3'-Methylacetophenone, Acetophenone, 3'-methyl-, Acetophenone, m-methyl-, Methyl m-tolyl ketone, 3-METHYLACETOPHENONE, Ethanone, 1-(3-methylphenyl)-, M26607_ALDRICH, 1-(3-methylphenyl)-Ethanone, Acetophenone, 3'-methyl- (8CI), NSC46632, EINECS 209-561-8, NSC 46632, ZINC01678782, Ethanone, 1-(3-methylphenyl)- (9CI), TL8003746, InChI=1/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H

Molecular Formula:	C₉H₁₀O	Molecular Weight:	134.175100 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: FSPSELPMWGWDRY-UHFFFAOYSA-N

• 3-Nitro-4-Aminobenzoic Acid

IUPAC Name: 4-amino-3-nitrobenzoic acid | CAS Registry Number: 1588-83-6
Synonyms: 3-Nitro-4-aminobenozic acid, 4-Carboxy-2-nitroaniline, 4-Amino-3-nitrobenzoic acid, Benzoic acid, 4-amino-3-nitro-, 3-Nitro-4-aminobenzoic acid, MLS000773514, 248118_ALDRICH, ZERO/000832, NSC20673, EINECS 216-453-4, NSC 20673, SMR000364241, ST5331088

Molecular Formula:	C₇H₆N₂O₄	Molecular Weight:	182.133540 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: ZZNAYFWAXZJITH-UHFFFAOYSA-N

• 3-Nitro-O-Chloro Benzoic Acid

IUPAC Name: 2-chloro-3-nitrobenzoic acid | CAS Registry Number: 3970-35-2
Synonyms: Ambap4518, 2-CHLORO-3-NITROBENZOIC ACID, 141208_ALDRICH, 25408_FLUKA, AIDS019396, Benzoic acid, 2-chloro-3-nitro-, AIDS-019396, NSC92742, EINECS 223-590-3, NSC 92742, InChI=1/C7H4ClNO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11

Molecular Formula:	C₇H₄ClNO₄	Molecular Weight:	201.563960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: JRQDVRIQJJPHEQ-UHFFFAOYSA-N

• 3-TERT-BUTYLANILINE HCL

IUPAC Name: 3-tert-butylaniline;hydrochloride | CAS Registry Number: 83672-23-5
Synonyms: 3-tert-butylaniline hydrochloride, 3-(tert-Butyl)aniline hydrochloride, SureCN10829559, CTK7D8789, MolPort-001-767-627, OR3212, AG-A-62747, AG-H-33891, KB-87398, Aniline,m-tert-butyl-, hydrochloride (6CI); Benzenamine, 3-(1,1-dimethylethyl)-,hydrochloride (9CI)

Molecular Formula:	C₁₀H₁₆ClN	Molecular Weight:	185.693740 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: BACCRCHRMWNPPT-UHFFFAOYSA-N

• 4'-Bromo-3'-nitroacetophenone

IUPAC Name: 1-(4-bromo-3-nitrophenyl)ethanone | CAS Registry Number: 18640-58-9
Synonyms: 4-Bromo-3'-nitroacetophenone, 553662_ALDRICH, 1-(4-Bromo-3-nitrophenyl)ethanone, EINECS 242-469-6, NSC111656, ZINC00152514, 1-(4-Bromo-3-nitrophenyl)ethan-1-one, FS000011, ST068993

Molecular Formula:	C₈H₆BrNO₃	Molecular Weight:	244.042140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: YFVOFFKNHQTQQE-UHFFFAOYSA-N

• 4'-Chloro-3'-nitroacetophenone

IUPAC Name: 1-(4-chloro-3-nitrophenyl)ethanone | CAS Registry Number: 5465-65-6
Synonyms: 193968_ALDRICH, EINECS 226-769-4, 1-(4-Chloro-3-nitrophenyl)ethanone, Acetophenone, 4'-chloro-3'-nitro-, ALD-N026743, NSC25820, 1-{4-chloro-3-nitrophenyl}ethanone, ZINC00155344, Ethanone, 1-(4-chloro-3-nitrophenyl)-, 4-CHLORO-3-NITRO ACETOPHENONE, LS-184948, AH-034/32829032

Molecular Formula:	C₈H₆ClNO₃	Molecular Weight:	199.591140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: YEVPHFIFGUWSMG-UHFFFAOYSA-N

• 4'-Fluoro-2'-hydroxyacetophenone

IUPAC Name: 1-(4-fluoro-2-hydroxyphenyl)ethanone | CAS Registry Number: 1481-27-2
Synonyms: Ambap3682, 4-Fluoro-2-hydroxyacetophenone, 466964_ALDRICH, ZINC02512486, CID2737326, TL8001052, InChI=1/C8H7FO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-4,11H,1H

Molecular Formula:	C₈H₇FO₂	Molecular Weight:	154.138383 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: HLTBTUXAMVOKIH-UHFFFAOYSA-N

• 4'-METHYL-3-HYDROXY-5-(TRIFLUOROMETHYL)-1,1-BIPHENYL-4-CARBONITRILE

IUPAC Name: 6-(4-chlorophenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile | CAS Registry Number: 147381-60-0
Synonyms: 4N-357S, 6-(4-chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile, AC1LRTDZ, SMR000168640, MLS000331203, SCHEMBL3562989, CHEMBL1549986, SCHEMBL15110858, CTK7C6379, MolPort-002-869-098, REGID_for_CID_1477185, HMS2375D12, AKOS005092861, AKOS017344397, MCULE-4965759985, 4'-CHLORO-3-HYDROXY-5- -1,1-BIPHENYL-4-CARBONITRILE, 3-CYANO-4-TRIFLUOROMETHYL-6-(4'-CHLOROPHENYL)-PYRIDINE-2-ONE, 6-(4-chlorophenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile, 6-(4-CHLOROPHENYL)-3-CYANO-4-TRIFLUOROMETHYL-2(1H)-PYRIDONE

Molecular Formula:	C₁₃H₆ClF₃N₂O	Molecular Weight:	298.647750 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: GCYUFUYBMMTSDV-UHFFFAOYSA-N

• 4(3H)-Pyrimidone

IUPAC Name: 5H-pyrimidin-4-one | CAS Registry Number: 51953-17-4
Synonyms: 4-Hydroxypyrimidine, 3H-Pyrimidin-4-one, EINECS 257-545-4, CID104028

Molecular Formula:	C₄H₄N₂O	Molecular Weight:	96.087360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: TZYQTWHRLVDYPL-UHFFFAOYSA-N

• 4,4'-DIMETHOXYBENZIL

IUPAC Name: 1,2-bis(4-methoxyphenyl)ethane-1,2-dione | CAS Registry Number: 1226-42-2
Synonyms: p-Anisil, 4,4'-Dimethoxybenzil, Di-p-anisoyl, p,p'-Dimethoxybenzil, Benzil-based compound, 21, Bis(4-methoxyphenyl)ethanedione, 159611_ALDRICH, Ethanedione, bis(4-methoxyphenyl)-, AIDS018008, AIDS-018008, NSC19218, EINECS 214-960-5, NSC 19218, NSC602910, ZINC01566855, 1,2-Bis(4-methoxyphenyl)-1,2-ethanedione, 1,2-bis(4-methoxyphenyl)ethane-1,2-dione, AI3-51933, ST5331256, EU-0000057

Molecular Formula:	C₁₆H₁₄O₄	Molecular Weight:	270.279960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: YNANGXWUZWWFKX-UHFFFAOYSA-N

• 4,4'-Dimethoxybenzophenone

IUPAC Name: bis(4-methoxyphenyl)methanone | CAS Registry Number: 90-96-0
Synonyms: P,P'-DIMETHOXYBENZOPHENONE, Bis(p-methoxy)benzophenone, CBMicro_013731, Oprea1_684330, Bis(4-methoxyphenyl)methanone, Methanone, bis(4-methoxyphenyl)-, 141984_ALDRICH, Benzophenone, 4,4'-dimethoxy-, NSC4191, EINECS 202-028-0, ZINC00056447, BIM-0013460.P001, AI3-52342, ST5308535

Molecular Formula:	C₁₅H₁₄O₃	Molecular Weight:	242.269860 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: RFVHVYKVRGKLNK-UHFFFAOYSA-N

• 4,4,4-Trifluoro-1 (4-Methylphenyl)-Butane-1,3-Dione

IUPAC Name: 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione | CAS Registry Number: 720-94-5
Synonyms: TOS-BB-0661, ALBB-006417, STK298732, TL8005050, 1,3-Butanedione, 4,4,4-trifluoro-1-p-tolyl-, 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione, l-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione, Benzene, 1-(3-trifluoromethyl-3-hydroxypropenoyl)-4-methyl-

Molecular Formula:	C₁₁H₉F₃O₂	Molecular Weight:	230.183170 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: WRZMHTIRFOFFPY-UHFFFAOYSA-N

• 4,4,4-Trifluoro-1-(4-Methoxyphenyl)-1,3-Butanedione

IUPAC Name: 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione | CAS Registry Number: 15191-68-1
Synonyms: TOS-BB-0662, ALBB-006418, CID139903, STK298670, BBV-105463, 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione, 2,4-Butanedione, 1,1,1-trifluoro-4-(4-methoxyphenyl)-

Molecular Formula:	C₁₁H₉F₃O₃	Molecular Weight:	246.182570 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: NNEIYSHJFCLFES-UHFFFAOYSA-N

• 4-(4-Chlorophenyl)-4-Oxobutanoic Acid

IUPAC Name: 4-(4-chlorophenyl)-4-oxobutanoic acid | CAS Registry Number: 3984-34-7
Synonyms: Maybridge1_006214, NSC5137, NCIStruc1_000312, NCIStruc2_000239, 3-(4-Chlorobenzoyl)propionic acid, Oprea1_859574, 439924_ALDRICH, NCI5137, CID77604, NSC-5137, 4-(4-Chlorophenyl)-4-oxobutanoic acid, EINECS 223-627-3, NCGC00013054, SBB003421, STK208513, NCGC00096178-01, NCI60_004245, Benzenebutanoic acid, 4-chloro-gamma-oxo-, AI3-07203, Benzenebutanoic acid, 4-chloro-.gamma.-oxo-

Molecular Formula:	C₁₀H₉ClO₃	Molecular Weight:	212.629660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: AHVASTJJVAYFPY-UHFFFAOYSA-N