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• Alpha,Alpha,Alpha',Alpha'-Tetrabromo-O-Xylene

IUPAC Name: 1,2-bis(dibromomethyl)benzene | CAS Registry Number: 13209-15-9
Synonyms: Tetrabromo-o-xylene, 1,2-Bis(dibromomethyl)benzene, o-Xylene, tetrabromo-, Ambmblo797905, Benzene, 1,2-bis(dibromomethyl)-, T5605_ALDRICH, a,a,a',a'-tetrabromo-o-xylene, NSC38607, EINECS 236-176-2, NSC 38607, alpha,alpha,alpha',alpha'-Tetrabromo-o-xylene, CID83234, alpha,alpha,beta,beta-Tetrabromo-o-xylene, LS-184959, o-Xylene, alpha,alpha,alpha',alpha'-tetrabromo-, .alpha.,.alpha.,.alpha.',.alpha.'-Tetrabromo-o-xylene, o-Xylene, .alpha.,.alpha.,.alpha.',.alpha.'-tetrabromo-, InChI=1/C8H6Br4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7-8, 31091-14-2

Molecular Formula:	C₈H₆Br₄	Molecular Weight:	421.749240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: LNAOKZKISWEZNY-UHFFFAOYSA-N

• Anisil

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

• Benzeneacetic Acid, 4-[(acetyloxy)methyl]-

IUPAC Name: 2-[4-(acetyloxymethyl)phenyl]acetic acid | CAS Registry Number: 61165-81-9
Synonyms: 4-ACETOXYMETHYLPHENYLACETIC ACID, SureCN9127061, AGN-PC-0047M5, CTK5B2784, AKOS005064449, AG-G-22590, KB-239862, Benzeneacetic acid, 4-[(acetyloxy)methyl]-

Molecular Formula:	C₁₁H₁₂O₄	Molecular Weight:	208.210580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: WTGLCAJZNIBTQQ-UHFFFAOYSA-N

• Benzoic acid, 4-cyano-3-nitro-, ethyl ester

IUPAC Name: ethyl 4-cyano-3-nitrobenzoate | CAS Registry Number: 321162-58-7
Synonyms: ETHYL 4-CYANO-3-NITROBENZOATE, SureCN4181730, ethyl 4-cyano-3-nitro-benzoate, CTK4G8232, Ethyl 4-cyano-3-nitro-benzoate;, AG-F-07199, 4-cyano-3-nitrobenzoic acid ethyl ester, AK141788, Benzoicacid, 4-cyano-3-nitro-, ethyl ester, A821135

Molecular Formula:	C₁₀H₈N₂O₄	Molecular Weight:	220.181520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: MGNXPEPCKZZLQP-UHFFFAOYSA-N

• Benzoyl acetone

IUPAC Name: 1-phenylbutane-1,3-dione | CAS Registry Number: 93-91-4
Synonyms: Benzoylacetone, Acetoacetophenone, 1-Benzoylacetone, Acetylbenzoylmethane, 2-Acetylacetophenone, 1-Benzoyl-2-propanone, 2-Propanone, benzoyl-, 1,3-Butanedione, 1-phenyl-, 1-Phenylbutane-1,3-dione, alpha-Acetylacetophenone, .alpha.-Acetylacetophenone, Benzoyl-aceton [German], 1-PHENYL-1,3-BUTANEDIONE, 1-Phenyl-1,3-butanedion, omega-ACETYLACETOPHENONE, B11907_ALDRICH, NSC 4015, 12830_FLUKA, EINECS 202-286-4, CID7166

Molecular Formula:	C₁₀H₁₀O₂	Molecular Weight:	162.185200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: CVBUKMMMRLOKQR-UHFFFAOYSA-N

• Benzyl 4-chlorophenyl ketone

IUPAC Name: 1-(4-chlorophenyl)-2-phenylethanone | CAS Registry Number: 1889-71-0
Synonyms: 4-Chlorodeoxybenzoin, NCIOpen2_006717, MLS000851416, 4-CHLORODESOXY BENZOIN, 631345_ALDRICH, 4'-Chloro-2-phenylacetophenone, 1-(4-chlorophenyl)-2-phenylethanone, NSC32891, NSC99455, ZINC00143931, 1-(4-chlorophenyl)-2-phenylethan-1-one, SMR000457859, ST5406990, AE-641/00686010

Molecular Formula:	C₁₄H₁₁ClO	Molecular Weight:	230.689540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: DXVALSKCLLBZEB-UHFFFAOYSA-N

• Benzyl 4-hydroxyphenyl ketone

IUPAC Name: 1-(4-hydroxyphenyl)-2-phenylethanone | CAS Registry Number: 2491-32-9
Synonyms: 4'-Hydroxydeoxybenzoin, Maybridge3_000426, Oprea1_841974, B23077_ALDRICH, NSC60474, 4'-Hydroxy-2-phenylacetophenone, Acetophenone, 4'-hydroxy-2-phenyl-, CID75607, EINECS 219-654-5, ZINC00134606, Ethanone, 1-(4-hydroxyphenyl)-2-phenyl-, IDI1_011813, ST5319685, SR-01000643222-1

Molecular Formula:	C₁₄H₁₂O₂	Molecular Weight:	212.243880 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: JBQTZLNCDIFCCO-UHFFFAOYSA-N

• Benzylmalonic Acid

IUPAC Name: 2-benzylpropanedioic acid | CAS Registry Number: 616-75-1
Synonyms: Benzylmalonic acid, Benzomalonate acid, 2-Benzylmalonate, 2-Benzylmalonic acid, Benzlmalonic acid, Malonic acid, 2-benzyl-, USAF XR-36, MALONIC ACID, BENZYL-, WLN: QVYVQ1R, beta-Phenylisosuccinic acid, Propanedioic acid, (phenylmethyl)-, 100773_ALDRICH, NSC 8068, 13530_FLUKA, EINECS 210-491-5, NSC8068, 1,1-Ethanedicarboxylic acid, 2-phenyl-, CID12031, BRN 0643530, AI3-23865

Molecular Formula:	C₁₀H₁₀O₄	Molecular Weight:	194.184000 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: JAEJSNFTJMYIEF-UHFFFAOYSA-N

• Chlorodimethylpentafluorophenylsilane

IUPAC Name: chloro-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane | CAS Registry Number: 20082-71-7
Synonyms: Flophemesyl chloride, Pentafluorophenyldimethylchlorosilane, 76750_FLUKA, CID88361, EINECS 243-506-9, (Pentafluorophenyl)dimethylchlorosilane, Chlorodimethyl(pentafluorophenyl)silane, Silane, chlorodimethyl(pentafluorophenyl)-, Benzene, 1-(chlorodimethylsilyl)-2,3,4,5,6-pentafluoro-

Molecular Formula:	C₈H₆ClF₅Si	Molecular Weight:	260.663756 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: PQRFRTCWNCVQHI-UHFFFAOYSA-N

• Chromone-2-carboxylic acid

IUPAC Name: 4-oxochromene-2-carboxylic acid | CAS Registry Number: 4940-39-0
Synonyms: chromocarb, Atremon, Chromocarb (INN), Chromonecarboxylic acid, Chromocarbe [INN-French], Chromocarbum [INN-Latin], Cromocarbo [INN-Spanish], Chromocarb [DCF:INN], Chromocarb [INN:DCF], Spectrum3_000708, Spectrum4_000953, LP-1, Oprea1_123976, BSPBio_002495, KBioGR_001566, MLS000881215, DivK1c_000471, O8755_SIGMA, SPECTRUM1503044, 189782_ALDRICH

Molecular Formula:	C₁₀H₆O₄	Molecular Weight:	190.152240 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: RVMGXWBCQGAWBR-UHFFFAOYSA-N

• Chromone-3-carboxylic acid

IUPAC Name: 4-oxochromene-3-carboxylic acid | CAS Registry Number: 39079-62-4
Synonyms: Maybridge1_005842, 532576_ALDRICH, CID181620, 4-oxo-4H-chromene-3-carboxylic acid, ST5307799

Molecular Formula:	C₁₀H₆O₄	Molecular Weight:	190.152240 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: PCIITXGDSHXTSN-UHFFFAOYSA-N

• Diethyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate

IUPAC Name: diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 1149-23-1
Synonyms: Diludine, Ethidine, Hantzsch ester, Diethone, Etidin, diludin, ethidin, Hantzsch's dihydropyridine, DM-DEOC-DHP, Maybridge1_005647, ChemDiv2_005231, Oprea1_780789, MLS000060889, MLS000737519, DivK1c_001935, 120227_ALDRICH, NSC 3344, C13H19NO4, EINECS 214-561-6, ZERO/000548

Molecular Formula:	C₁₃H₁₉NO₄	Molecular Weight:	253.294260 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: LJXTYJXBORAIHX-UHFFFAOYSA-N

• Diphenic Anhydride

IUPAC Name: benzo[d][2]benzoxepine-5,7-dione | CAS Registry Number: 6050-13-1
Synonyms: Diphenic anhydride, diphenic acid anhydride, NCIOpen2_003417, 2,2'-Biphenyldicarboxylic anhydride, Dibenz(c,e)oxepin-5,7-dione, Dibenz[c,e]oxepin-5,7-dione, 148903_ALDRICH, dibenzo[c,e]oxepine-5,7-dione, 2,2'-Diphenyldicarboxylic anhydride, CID72794, NSC67689, EINECS 227-950-0, NSC 67689, NSC116225, ZINC00388294, Biphenyl-2,2'-dicarboxylic anhydride, NSC 116225, 2,2'-Biphenyl-dicarboxylic acid anhydride, TL8003829, LT03381397

Molecular Formula:	C₁₄H₈O₃	Molecular Weight:	224.211520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: RTSGJTANVBJFFJ-UHFFFAOYSA-N

• Ethyl 3-Aminobenzofuran-2-Carboxylate

IUPAC Name: ethyl 3-amino-1-benzofuran-2-carboxylate | CAS Registry Number: 39786-35-1
Synonyms: Enamine_001390, Oprea1_566336, MLS000569389, 642363_ALDRICH, ZINC02566857, ALBB-006057, Ethyl 3-aminobenzofuran-2-carboxylate, CID2063537, BBV-00026362, ethyl 3-amino-1-benzofuran-2-carboxylate, SMR000155002

Molecular Formula:	C₁₁H₁₁NO₃	Molecular Weight:	205.209940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: PWOARNMOPCOJEV-UHFFFAOYSA-N

• Ethyl 4-Bromophenylacetate

IUPAC Name: ethyl 2-(4-bromophenyl)acetate | CAS Registry Number: 14062-25-0
Synonyms: Ethyl 4-bromophenylacetate, 631353_ALDRICH, ZINC02565978, CID7020609, TL806236, ST5408626

Molecular Formula:	C₁₀H₁₁BrO₂	Molecular Weight:	243.097140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ZFDCWHPNBWPPHG-UHFFFAOYSA-N

• Ethyl 4-pyrazolecarboxylate

IUPAC Name: ethyl 1H-pyrazole-4-carboxylate | CAS Registry Number: 37622-90-5
Synonyms: 4-Acetylpyrazole, Ethyl 1H-pyrazole-4-carboxylate, 300780_ALDRICH, CID142179, ZINC00409316, TL8002769

Molecular Formula:	C₆H₈N₂O₂	Molecular Weight:	140.139920 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: KACZQOKEFKFNDB-UHFFFAOYSA-N

• M-Aminobenzoic Acid

IUPAC Name: 3-aminobenzoic acid | CAS Registry Number: 99-05-8
Synonyms: m-Carboxyaniline, m-Aminobenzoic acid, 3-Carboxyaniline, gabaculine, Benzoic acid, 3-amino-, 3-AMINOBENZOIC ACID, Benzoic acid, m-amino-, MABA, m-Aminobenzoesaeure, 3-Aminobenzoesaeure, meta-aminobenzoic acid, Aniline-3-carboxylic acid, WLN: ZR CVQ, Oprea1_172994, C7H7NO2, MLS000069458, MLS001076476, 127671_ALDRICH, 06920_FLUKA, CHEBI:42682

Molecular Formula:	C₇H₇NO₂	Molecular Weight:	137.135980 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: XFDUHJPVQKIXHO-UHFFFAOYSA-N

• Methyl 2-Bromo-5-nitrobenzoate

IUPAC Name: methyl 2-bromo-5-nitrobenzoate | CAS Registry Number: 6942-36-5
Synonyms: Ambap1695, Methyl 2-bromo-5-nitrobenzoate, NCIOpen2_002533, 300217_ALDRICH, NSC57462, CID245494, ZINC00056674, FR-2397, ST5307682

Molecular Formula:	C₈H₆BrNO₄	Molecular Weight:	260.041540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: VSEYYEKRZNRECT-UHFFFAOYSA-N

• Methyl 2-bromomethylbenzoate

IUPAC Name: methyl 2-(bromomethyl)benzoate | CAS Registry Number: 2417-73-4
Synonyms: Ambap4153, ZINC02580764, CID2734813, TL8001990

Molecular Formula:	C₉H₉BrO₂	Molecular Weight:	229.070560 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: QKASDIPENBEWBU-UHFFFAOYSA-N

• Methyl 3-iodo-4-methyl benzoate

IUPAC Name: methyl 3-iodo-4-methylbenzoate | CAS Registry Number: 90347-66-3
Synonyms: METHYL 3-IODO-4-METHYLBENZOATE, SBB068078, AG-H-70368, 3-Iodo-4-methylbenzoic acid methyl ester, Methyl 3-iodo-p-toluate, AGN-PC-00NAQY, SureCN1232173, KSC495M1R, AC1Q430V, Methyl-3-Iodo-4-Methylbenzoate, CTK3J5618, Methyl 3-Iodo-4-Methyl-Benzoate, MolPort-001-760-365, 2-Iodo-4-(methoxycarbonyl)toluene, ACN-S004274, ACT08424, ANW-39466, RW3424, ZINC02559798, AKOS015852340

Molecular Formula:	C₉H₉IO₂	Molecular Weight:	276.071030 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: NKMHAOTZPFVSPC-UHFFFAOYSA-N

• METHYL 4-AMINO-3-NITROBENZOATE

IUPAC Name: methyl 4-amino-3-nitrobenzoate | CAS Registry Number: 3987-92-6
Synonyms: methyl 4-amino-3-nitrobenzoate, Methyl 4-amino-3-nitrobenzenecarboxylate, 4-(Methoxycarbonyl)-2-nitroaniline, 4-Amino-3-nitrobenzoicacidmethylester, 4-AMINO-3-NITROMETHYLBENZOATE, AG-F-40929, 2-Amino-5-(methoxycarbonyl)nitrobenzene, 4-Amino-3-nitro-benzoic acid methyl ester, BENZOIC ACID, 4-AMINO-3-NITRO-, METHYL ESTER, AC1N0OBV, ACMC-209j8j, AC1Q42WA, SureCN2720856, KSC495Q5N, methylaminonitrobenzenecarboxylate, CTK3J5856, MolPort-001-758-226, ACT07410, ANW-29201, SBB091966

Molecular Formula:	C₈H₈N₂O₄	Molecular Weight:	196.160120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: HNTLUEZVPLRQEV-UHFFFAOYSA-N

• Methyl 5-chloro-2-nitrobenzoate

IUPAC Name: methyl 5-chloro-2-nitrobenzoate | CAS Registry Number: 51282-49-6
Synonyms: 579823_ALDRICH, EINECS 257-107-2, ZINC00163347, ST5307785, Benzoic acid, 5-chloro-2-nitro-, methyl ester

Molecular Formula:	C₈H₆ClNO₄	Molecular Weight:	215.590540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: JGBJHRKCUKTQOE-UHFFFAOYSA-N

• N-(Hydroxymethyl)acetamide

IUPAC Name: N-(hydroxymethyl)acetamide | CAS Registry Number: 625-51-4
Synonyms: Formicin, Acetamidomethanol, N-methylolacetamide, Acetamide, N-(hydroxymethyl)-, N-Hydroxymethylacetamide, 00315_FLUKA, EINECS 210-897-2, BRN 0506226, ZINC01845925, LS-9717, TL8004182, 4-02-00-00405 (Beilstein Handbook Reference), InChI=1/C3H7NO2/c1-3(6)4-2-5/h5H,2H2,1H3,(H,4,6

Molecular Formula:	C₃H₇NO₂	Molecular Weight:	89.093180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: HWJHZLJIIWOTGZ-UHFFFAOYSA-N

• o-Methoxyacetophenone

IUPAC Name: 1-(2-methoxyphenyl)ethanone | CAS Registry Number: 579-74-8
Synonyms: o-Acetylanisole, 2-Methoxyacetophenone, o-Acetanisole, 2-Acetylanisole, 2'-Methoxyacetophenone, ortho-Methoxyacetophenone, 2-Methyoxyacetophenone oxime, 1-(2-Methoxyphenyl)ethanone, .alpha.-Methoxyacetophenone, Acetophenone, 2'-methoxy-, Ethanone, 1-(2-methoxyphenyl)-, M9203_ALDRICH, 1-(2-Methoxyphenyl)ethan-1-one, Acetophenone, 2'-methoxy- (8CI), NSC23387, NSC26912, EINECS 209-446-2, NSC 23387, ZINC01602584, AI3-05503

Molecular Formula:	C₉H₁₀O₂	Molecular Weight:	150.174500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DWPLEOPKBWNPQV-UHFFFAOYSA-N

• Ocinaplon

IUPAC Name: pyridin-2-yl-(7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone | CAS Registry Number: 96604-21-6
Synonyms: Ocinaplon [USAN:INN], Ocinaplon (USAN/INN), UNII-2H6KVC5E76, C17H11N5O, CID216456, CL 273547, LS-178317, D02617, 2-Pyridinyl(7-(4-pyridinyl)pyrazolo(1,5-a)pyrimidin-3-yl)methanone, 2-Pyridyl 7-(4-pyridyl)pyrazolo(1,5-a)pyrimidin-3-yl ketone, Methanone, 2-pyri(dinyl(7-(4-pyridinyl)pyrazolo(1,5-a)pyrimidin-3-yl)-;, Methanone, 2-pyridinyl(7-(4-pyridinyl)pyrazolo(1,5-a)pyrimidin-3-yl)-

Molecular Formula:	C₁₇H₁₁N₅O	Molecular Weight:	301.302140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: OQJFBUOFGHPMSR-UHFFFAOYSA-N

• P-Fluorobenzoic Acid

IUPAC Name: 4-fluorobenzoic acid | CAS Registry Number: 456-22-4
Synonyms: p-Fluorobenzoic acid, 4-FLUOROBENZOIC ACID, 4-Fluorobenzoate, Benzoic acid, 4-fluoro-, Benzoic acid, p-fluoro-, para-Fluorobenzoic acid, 128384_ALDRICH, 418846_ALDRICH, 46600_FLUKA, CHEBI:20364, Benzoic acid, p-fluoro- (8CI), NSC10321, EINECS 207-259-0, NSC 10321, SBB008568, FR-2272, TL8003173, C02371, InChI=1/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10, 499-90-1

Molecular Formula:	C₇H₅FO₂	Molecular Weight:	140.111803 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: BBYDXOIZLAWGSL-UHFFFAOYSA-N

• P-Hydroxythiophenol

IUPAC Name: 4-sulfanylphenol | CAS Registry Number: 637-89-8
Synonyms: 4-Mercaptophenol, 4-Hydroxythiophenol, p-Hydroxythiophenol, Thiohydroquinone, p-Mercaptophenol, Monothiohydroquinone, 4-Hydroxybenzenethiol, Hydroquinone, monothio-, Phenol, p-mercapto-, Phenol, 4-mercapto-, USAF B-57, WLN: L6V DYJ DUS, Phenol, p-mercapto- (8CI), Phenol, 4-mercapto- (9CI), 275395_ALDRICH, 559938_ALDRICH, 63764_FLUKA, EINECS 211-307-6, NSC 46192, NSC46192

Molecular Formula:	C₆H₆OS	Molecular Weight:	126.176240 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: BXAVKNRWVKUTLY-UHFFFAOYSA-N

• Phenylglyoxylic Acid

IUPAC Name: 2-oxo-2-phenylacetic acid | CAS Registry Number: 611-73-4
Synonyms: Phenylglyoxylic acid, BENZOYLFORMIC ACID, Benzoylformate, Phenylglyoxalate, Phenylglyoxylate, Benzeneglyoxylic acid, Phenylgloxylic acid, Oxophenylacetic acid, Phenyloxoacetic acid, 2-Phenylethanoic acid, oxo(phenyl)acetic acid, 2-Oxo-2-phenylacetic acid, Formic acid, benzoyl-, Glyoxylic acid, phenyl-, 2-Oxo-2-phenylacetate, alpha-Ketophenylacetic acid, Ambap3005, alpha-Oxobenzeneacetic acid, BENZOYL-FORMIC ACID, WLN: QVVR

Molecular Formula:	C₈H₆O₃	Molecular Weight:	150.131440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: FAQJJMHZNSSFSM-UHFFFAOYSA-N

• 4-Acetoxybenzaldehyde

IUPAC Name: (4-formylphenyl) acetate | CAS Registry Number: 878-00-2
Synonyms: p-Acetoxybenzaldehyde, 4-Formylphenyl acetate, p-Hydroxybenzaldehyde acetate, Benzaldehyde, 4-(acetyloxy)-, Benzaldehyde, p-hydroxy-, acetate, 242608_ALDRICH, ALBB-001396, CID70144, NSC40537, EINECS 212-898-3, NSC 40537, SBB008231, ZINC01672089, FR-1090, AI3-31884

Molecular Formula:	C₉H₈O₃	Molecular Weight:	164.158020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: SEVSMVUOKAMPDO-UHFFFAOYSA-N

• 3,4-Dihydroxyphenylcaetic 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-, 3,4-Dihydroxybenzeneacetic acid, Acetic acid, (3,4-dihydroxyphenyl)-, CCRIS 3765, 3,4-Dihydroxyphenyl acetate, NCIOpen2_000518, Lopac0_000414, 3,4-dihydroxyphenyl acetic acid

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

InChIKey: CFFZDZCDUFSOFZ-UHFFFAOYSA-N

• 3',4',5'-Trimethoxyacetophenone

IUPAC Name: 1-(3,4,5-trimethoxyphenyl)ethanone | CAS Registry Number: 1136-86-3
Synonyms: 1-(3,4,5-TRIMETHOXYPHENYL)ETHANONE, 3,4,5-Trimethoxyacetophenone, Ethanone, 1-(3,4,5-trimethoxyphenyl)-, ZINC00057170, PubChem22820, ACMC-1C5OS, bmse010088, SureCN290542, AC1Q47MQ, T68101_ALDRICH, (3,5-Trimethoxy)acetophenone, AC1L23N7, (3,4,5-Trimethoxy)acetophenone, CTK4A8403, MolPort-000-881-380, BB_SC-6797, 1-acetyl-3,4,5-trimethoxybenzene, ACT07863, NSC30099, EINECS 214-501-9

Molecular Formula:	C₁₁H₁₄O₄	Molecular Weight:	210.226460 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: VUGQIIQFXCXZJU-UHFFFAOYSA-N

• 2-Amino-3-bromo-5-methylbenzoic acid

IUPAC Name: 2-amino-3-bromo-5-methylbenzoic acid | CAS Registry Number: 13091-43-5
Synonyms: 631531_ALDRICH, SBB005907, FS000849

Molecular Formula:	C₈H₈BrNO₂	Molecular Weight:	230.058620 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: LCMZECCEEOQWLQ-UHFFFAOYSA-N

• 4-Hydroxy-6-methylcoumarin

IUPAC Name: 2-hydroxy-6-methylchromen-4-one | CAS Registry Number: 13252-83-0
Synonyms: 417351_ALDRICH, ZINC00058109, 4-hydroxy-6-methyl-2H-chromen-2-one, ALBB-007066, CID689009, ST5331505, AF-399/13375268, InChI=1/C10H8O3/c1-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5,11H,1H

Molecular Formula:	C₁₀H₈O₃	Molecular Weight:	176.168720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: CSVFZDYJGBVNEX-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

• 4-Bromomethylphenylacetic acid

IUPAC Name: 2-[4-(bromomethyl)phenyl]acetic acid | CAS Registry Number: 13737-36-5
Synonyms: 4-(Bromomethyl)phenylacetic acid, 4-BROMOMETHYLPHENYLACETIC ACID, 2-(4-(bromomethyl)phenyl)acetic acid, 2-[4-(bromomethyl)phenyl]acetic Acid, 4-(Bromomethyl)phenylaceticAcid, 4-(Carboxymethyl)benzyl Bromide, 4-(bromomethyl)phenyl acetic acid, SBB063870, zlchem 1333, PAM ACID, BR-PAM-LINKER, PubChem16459, ACMC-1CBWX, AC1NCXS0, SureCN219773, KSC493A0F, 310417_ALDRICH, PARAGOS 440036, CTK3J3002, ZLE0111

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

InChIKey: WCOCCXZFEJGHTC-UHFFFAOYSA-N

• 5'-Chloro-2'-hydroxyacetophenone

IUPAC Name: 1-(5-chloro-2-hydroxyphenyl)ethanone | CAS Registry Number: 1450-74-4
Synonyms: 2-Acetyl-4-chlorophenol, 383384_ALDRICH, Acetophenone, 5'-chloro-2'-hydroxy-, NSC46622, CID74061, EINECS 215-916-8, ZINC00153099, ETHANONE, 1-(5-CHLORO-2-HYDROXYPHENYL)-, 1-(5-Chloro-2-hydroxyphenyl)ethan-1-one, ST5331343, InChI=1/C8H7ClO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H, 4712-88-3

Molecular Formula:	C₈H₇ClO₂	Molecular Weight:	170.592980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XTGCUDZCCIRWHL-UHFFFAOYSA-N

• 2-Acetyl-4-bromophenol

IUPAC Name: 1-(5-bromo-2-hydroxyphenyl)ethanone | CAS Registry Number: 1450-75-5
Synonyms: 5'-Bromo-2'-hydroxyacetophenone, 2'-Hydroxy-5'-bromoacetophenone, 383406_ALDRICH, NSC46621, 1-(5-Bromo-2-hydroxyphenyl)ethanone, CID95991, BRN 2045140, ZINC00152790, Ethanone, 1-(5-bromo-2-hydroxyphenyl)-, LS-67218, ST5331369, TL8000996, Acetophenone, 5'-bromo-2'-hydroxy- (6CI,7CI,8CI), 4-08-00-00328 (Beilstein Handbook Reference), InChI=1/C8H7BrO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H

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

InChIKey: HQCCNFFIOWYINW-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

• 8-Hydroxyquinoline-2-carboxylic acid

IUPAC Name: 8-hydroxyquinoline-2-carboxylic acid | CAS Registry Number: 1571-30-8
Synonyms: 8-Hydroxyquinaldic acid, Quinaldic acid, 8-hydroxy-, Oprea1_440614, MLS000849721, 55088_FLUKA, 8-Hydroxy-2-quinolinecarboxylic acid, BRN 0146082, SMR000455739, LS-139874, ST5330568, EU-0033714, MLS-0146266.0001, 5-22-05-00272 (Beilstein Handbook Reference)

Molecular Formula:	C₁₀H₇NO₃	Molecular Weight:	189.167480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: UHBIKXOBLZWFKM-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-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

• 2,5-Dimethoxyphenylacetic acid

IUPAC Name: 2-(2,5-dimethoxyphenyl)acetic acid | CAS Registry Number: 1758-25-4
Synonyms: Benzeneacetic acid, 2,5-dimethoxy-, NCIOpen2_000689, MLS000037734, D135801_ALDRICH, (2,5-Dimethoxyphenyl)acetic acid, (2,5-Dimethoxyphenyl)-acetic acid, Acetic acid, (2,5-dimethoxyphenyl)-, NSC74696, EINECS 217-151-5, NSC 74696, SMR000036664, AI3-52356, ST5036755, AC-907/25014280, InChI=1/C10H12O4/c1-13-8-3-4-9(14-2)7(5-8)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12

Molecular Formula:	C₁₀H₁₂O₄	Molecular Weight:	196.199880 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: BBZDYQUXRFATHZ-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

• 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-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',5'-Dimethoxy-4'-hydroxyacetophenone

IUPAC Name: 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone | CAS Registry Number: 2478-38-8
Synonyms: Acetosyringone, Acetosyringenin, Acetosyringon, Spectrum_001915, SpecPlus_000955, Spectrum2_000429, Spectrum3_001115, Spectrum4_001953, Spectrum5_000695, CCRIS 7286, BSPBio_002850, KBioGR_002389, KBioSS_002457, SPECTRUM300610, D134406_ALDRICH, DivK1c_007051, SPBio_000418, CHEBI:2404, 38766_FLUKA, EINECS 219-610-5

Molecular Formula:	C₁₀H₁₂O₄	Molecular Weight:	196.199880 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: OJOBTAOGJIWAGB-UHFFFAOYSA-N

• 2-Ethoxy-4-nitrobenzoic acid

IUPAC Name: 2-ethoxy-4-nitrobenzoic acid | CAS Registry Number: 2486-66-0
Synonyms: 2-ethoxy-4-nitro-benzoic Acid, ACMC-20anwx, AC1MC5DU, SureCN97838, 2-Ethoxy-4-nitrobenzoicacid, 549576_ALDRICH, Benzoic acid,2-ethoxy-4-nitro-, CTK4F4528, MolPort-001-769-149, OR5746, AKOS009158792, AKOS015889413, AG-E-74692, MCULE-5631577359, KB-94194, FT-0634316, X8074, 44280-EP2305250A1, 44280-EP2311814A1, A817526

Molecular Formula:	C₉H₉NO₅	Molecular Weight:	211.171460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: BSIOETYGDXDWBR-UHFFFAOYSA-N

• 4-Bromo-2-chloroaniline

IUPAC Name: 4-bromo-2-chloroaniline | CAS Registry Number: 38762-41-3
Synonyms: Aniline, 4-bromo-2-chloro-, Benzenamine, 4-bromo-2-chloro-, 154245_ALDRICH, ZINC00388335, ST5406584, InChI=1/C6H5BrClN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H

Molecular Formula:	C₆H₅BrClN	Molecular Weight:	206.467600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: INMZDDDQLHKGPF-UHFFFAOYSA-N

• 4-Chloro-3,5-dinitrobenzonitrile

IUPAC Name: 4-chloro-3,5-dinitrobenzonitrile | CAS Registry Number: 1930-72-9
Synonyms: 4-Chloro-3,5-dinitrobenzenenitrile, C38958_ALDRICH, EINECS 217-686-4, BENZONITRILE, 4-CHLORO-3,5-DINITRO-, NSC 74453, NSC74453, BRN 1990451, SBB003307, ZINC01620979, AI3-28718, LS-38662, InChI=1/C7H2ClN3O4/c8-7-5(10(12)13)1-4(3-9)2-6(7)11(14)15/h1-2

Molecular Formula:	C₇H₂ClN₃O₄	Molecular Weight:	227.561480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: SCGDEDHSPCXGEC-UHFFFAOYSA-N

• 6-Chloro-4-hydroxycoumarin

IUPAC Name: 6-chloro-2-hydroxychromen-4-one | CAS Registry Number: 19484-57-2
Synonyms: 417343_ALDRICH, ZINC00058087, 6-chloro-4-hydroxy-2H-chromen-2-one, ST5331465, AI-204/31681024, InChI=1/C9H5ClO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11

Molecular Formula:	C₉H₅ClO₃	Molecular Weight:	196.587200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: UJHIADILZZWIED-UHFFFAOYSA-N