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• 3,5-Difluorobenzoic Acid
IUPAC Name: 3,5-difluorobenzoic acid | CAS Registry Number: 455-40-3
Synonyms: 3,5-Difluorobenzoic acid, Benzoic acid, 3,5-difluoro-, 290181_ALDRICH, NSC403726, JRD-0027, CID101265, SBB006663, TL8003166, InChI=1/C7H4F2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11

Molecular Formula: C7H4F2O2Molecular Weight: 158.102266 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: GONAVIHGXFBTOZ-UHFFFAOYSA-N

• 3,5-Dimethoxyphenol
IUPAC Name: 3,5-dimethoxyphenol | CAS Registry Number: 500-99-2
Synonyms: Taxicatigenin, Phloroglucinol dimethyl ether, Phenol, 3,5-dimethoxy-, 1-Hydroxy-3,5-dimethoxybenzene, 3,5-DIMETHYOXYPHENOL, 132632_ALDRICH, 38773_FLUKA, CID10383, CPD-9499, NSC70955, EINECS 207-917-7, NSC 70955, ZINC00388212, Phenol, 3,5-dimethoxy- (8CI)(9CI), ST5331800, InChI=1/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H

Molecular Formula: C8H10O3Molecular Weight: 154.163200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XQDNFAMOIPNVES-UHFFFAOYSA-N

• 3,5-Dinitro-p-toluic acid
IUPAC Name: 4-methyl-3,5-dinitrobenzoic acid | CAS Registry Number: 16533-71-4
Synonyms: p-Toluic acid, 3,5-dinitro-, Oprea1_642861, NSC5589, 136883_ALDRICH, 4-Methyl-3,5-dinitrobenzoic acid, Benzoic acid, 4-methyl-3,5-dinitro-, 3,5-Dinitro-4-methylbenzoic acid, CID85477, EINECS 240-603-8, 3,5-Dinitro-4-Methyl Benzoic Acid, AI3-14622, TL80073595, PB262299010, InChI=1/C8H6N2O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3,(H,11,12

Molecular Formula: C8H6N2O6Molecular Weight: 226.143040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: LZWWZQXBKVZKIP-UHFFFAOYSA-N

• 3,5-Dinitrosalicylic acid
IUPAC Name: 2-hydroxy-3,5-dinitrobenzoic acid | CAS Registry Number: 609-99-4
Synonyms: 3,5-Dinitrosalicylate, 3,5-DINITROSALICYLIC ACID, Salicylic acid, 3,5-dinitro-, Benzoic acid, 2-hydroxy-3,5-dinitro-, 2-Hydroxy-3,5-dinitrobenzoic acid, 3,5-Dinitro-2-hydroxybenzoic acid, Oprea1_730607, D0550_SIGMA, NSC 181, 128848_ALDRICH, NSC181, EINECS 210-204-3, BRN 2220661, AI3-15341, NCGC00166042-01, LS-144323, ST5308508, TL8003862, BENZOIC ACID,3,5-DINITRO,2-HYDROXY, C11319

Molecular Formula: C7H4N2O7Molecular Weight: 228.115860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: LWFUFLREGJMOIZ-UHFFFAOYSA-N

• 3-Amino-1,2,4-Triazole
IUPAC Name: 1H-1,2,4-triazol-5-amine | CAS Registry Number: 61-82-5
Synonyms: Amitrole, Aminotriazole, Amitrol, Amitolamitril, Triazolamine, Herbizole, Weedoclor, Azaplant, Weedazin, Weedazol, Cytrole, Elmasil, Fenavar, Ramizol, Amerol, Amizol, Azolan, Cytrol, Emisol, Azole

Molecular Formula: C2H4N4Molecular Weight: 84.079960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KLSJWNVTNUYHDU-UHFFFAOYSA-N

• 3-Aminobenzonitrile
IUPAC Name: 3-aminobenzonitrile | CAS Registry Number: 2237-30-1
Synonyms: 3-Cyanoaniline, m-Cyanoaniline, M-AMINOBENZONITRILE, Benzonitrile, m-amino-, m-Anthranilonitrile, Benzonitrile, 3-amino-, 164771_ALDRICH, NSC 7626, 07002_FLUKA, Benzonitrile, 3-amino- (9CI), EINECS 218-800-5, NSC7626, AIDS020235, AIDS-020235, BRN 0636498, ZINC00388409, LS-38620, TL8001873, 4-14-00-01095 (Beilstein Handbook Reference), InChI=1/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H

Molecular Formula: C7H6N2Molecular Weight: 118.135940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NJXPYZHXZZCTNI-UHFFFAOYSA-N

• 3-aminophenylboronic Acid Monohydrate
IUPAC Name: (3-aminophenyl)boronic acid;hydrate | CAS Registry Number: 206658-89-1
Synonyms: 3-Aminophenylboronic acid monohydrate, SBB052525, 3-Aminobenzeneboronic acid monohydrate, PubChem4016, ACMC-1CFGG, SureCN295422, 3-Boronoaniline monohydrate, KSC489K7L, AGN-PC-0019EI, 287512_ALDRICH, CTK3I9575, M-aminophenylboronic acid hydrate, 3-Aminophenylboronic acid hydrate, MolPort-001-769-470, 3-Aminobenzeneboronic acid hydrate, (3-aminophenyl)boronic acid hydrate, ACN-S003614, ANW-24181, RW2398, AKOS005259063

Molecular Formula: C6H10BNO3Molecular Weight: 154.959500 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: XAEOVQODHLLNKX-UHFFFAOYSA-N

• 3-Bromo Benzaldehyde
IUPAC Name: 3-bromobenzaldehyde | CAS Registry Number: 3132-99-8
Synonyms: 3-Bromobenzaldehyde, m-Bromobenzaldehyde, Benzaldehyde, 3-bromo-, Benzaldehyde, m-bromo-, B57206_ALDRICH, EINECS 221-526-9, NSC 66828, NSC66828, ZINC02504374, Benzaldehyde, m-bromo- (6CI,7CI,8CI), LS-2136, NCGC00091295-01, TL806134, ST5213334, B-5781, InChI=1/C7H5BrO/c8-7-3-1-2-6(4-7)5-9/h1-5

Molecular Formula: C7H5BrOMolecular Weight: 185.018000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SUISZCALMBHJQX-UHFFFAOYSA-N

• 3-Bromo Benzoic Acid
IUPAC Name: 3-bromobenzoic acid | CAS Registry Number: 585-76-2
Synonyms: Benzoic acid, 3-bromo-, 3-BROMOBENZOIC ACID, m-Bromobenzoic acid, Benzoic acid, m-bromo-, NCIOpen2_009262, BENZOIC ACID,2-BROMO, 186295_ALDRICH, 16330_FLUKA, Benzoic acid, m-bromo- (8CI), NSC3980, NSC 3980, NSC32739, EINECS 209-562-3, NSC 32739, NSC176129, TL806158, AI3-08854, ST5319447, InChI=1/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10

Molecular Formula: C7H5BrO2Molecular Weight: 201.017400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VOIZNVUXCQLQHS-UHFFFAOYSA-N

• 3-Bromo-4-fluorobenzyl alcohol
IUPAC Name: (3-bromo-4-fluorophenyl)methylazanium | CAS Registry Number: 77771-03-0
Synonyms: ZINC00157219, CID3772546

Molecular Formula: C7H8BrFN+Molecular Weight: 205.047523 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WIRTWOIWFFCEPB-UHFFFAOYSA-O

• 3-Bromoacetophenone
IUPAC Name: 1-(3-bromophenyl)ethanone | CAS Registry Number: 2142-63-4
Synonyms: m-Bromoacetophenone, 3'-Bromoacetophenone, Acetophenone, 3'-bromo-, 3-BROMOACETOPHENONE, Ethanone, 1-(3-bromophenyl)-, 1-Acetyl-3-bromobenzene, 1-(3-Bromophenyl)ethanone, B56358_ALDRICH, Acetophenone, 3'-bromo- (8CI), NSC46620, EINECS 218-396-0, NSC 46620, ZINC00167233, ST5213421

Molecular Formula: C8H7BrOMolecular Weight: 199.044580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JYAQYXOVOHJRCS-UHFFFAOYSA-N

• 3-Bromoaniline
IUPAC Name: 3-bromoaniline | CAS Registry Number: 591-19-5
Synonyms: m-Bromoaniline, Aniline, m-bromo-, 3-BROMOANILINE, Benzenamine, 3-bromo-, m-Aminobromobenzene, 3-Bromobenzenamine, Aniline, m-bromo- (8CI), 180025_ALDRICH, 16210_FLUKA, EINECS 209-704-4, NSC 10298, NSC10298, BRN 0742028, ZINC03861310, LS-28107, ST5213806, TL8003774, 4-12-00-01491 (Beilstein Handbook Reference), InChI=1/C6H6BrN/c7-5-2-1-3-6(8)4-5/h1-4H,8H

Molecular Formula: C6H6BrNMolecular Weight: 172.022540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DHYHYLGCQVVLOQ-UHFFFAOYSA-N

• 3-Bromobenzylamine hydrochloride
IUPAC Name: (3-bromophenyl)methylazanium | CAS Registry Number: 39959-54-1
Synonyms: ZINC00409377, CID6951720

Molecular Formula: C7H9BrN+Molecular Weight: 187.057060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: SUYJXERPRICYRX-UHFFFAOYSA-O

• 3-Bromochlorobenzene
IUPAC Name: 1-bromo-3-chlorobenzene | CAS Registry Number: 108-37-2
Synonyms: m-Bromochlorobenzene, m-Chlorobromobenzene, 1-Bromo-3-chlorobenzene, 3-Chlorobromobenzene, m-Chlorophenyl bromide, Benzene, 1-bromo-3-chloro-, m-Bromophenyl chloride, 1-Chloro-3-bromobenzene, 3-Chlorophenyl bromide, 3-BROMOCHLOROBENZENE, 124036_ALDRICH, EINECS 203-575-8, NSC 53548, NSC53548, LS-29192, ST5406221, InChI=1/C6H4BrCl/c7-5-2-1-3-6(8)4-5/h1-4

Molecular Formula: C6H4BrClMolecular Weight: 191.452960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: JRGGUPZKKTVKOV-UHFFFAOYSA-N

• 3-Bromocyclohexene
IUPAC Name: 3-bromocyclohexene | CAS Registry Number: 1521-51-3
Synonyms: Cyclohexene, 3-bromo-, 1-Bromo-2-cyclohexene, 3-Bromo-1-cyclohexene, 2-Cyclohexen-1-yl bromide, 333549_ALDRICH, SBB007864

Molecular Formula: C6H9BrMolecular Weight: 161.039660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: AJKDUJRRWLQXHM-UHFFFAOYSA-N

• 3-Bromopyridine
IUPAC Name: 3-bromopyridine | CAS Registry Number: 626-55-1
Synonyms: 3-BROMOPYRIDINE, Pyridine, 3-bromo-, B80208_ALDRICH, 18280_FLUKA, NSC3974, AIDS020379, AIDS-020379, NSC 3974, EINECS 210-952-0, SBB003998, ZINC00158591, B2746G25, AI3-17853, TL8004225, InChI=1/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4

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

InChIKey: NYPYPOZNGOXYSU-UHFFFAOYSA-N

• 3-Bromoquinoline
IUPAC Name: 3-bromoquinoline | CAS Registry Number: 5332-24-1
Synonyms: 3-BROMOQUINOLINE, Quinoline, 3-bromo-, UPCMLD00WMAL447, 124133_ALDRICH, 16610_FLUKA, NSC3995, NSC 3995, EINECS 226-237-1, ZINC00066081, AI3-16560, ST5319421, InChI=1/C9H6BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6

Molecular Formula: C9H6BrNMolecular Weight: 208.054640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZGIKWINFUGEQEO-UHFFFAOYSA-N

• 3-Chloro 2,4 Difluoronitrobenzene
IUPAC Name: 2-chloro-1,3-difluoro-4-nitrobenzene | CAS Registry Number: 3847-58-3
Synonyms: NSC10241, CID223080, ZINC00061952, A1045/0048967

Molecular Formula: C6H2ClF2NO2Molecular Weight: 193.535386 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: CTVBVNKEMCGZDF-UHFFFAOYSA-N

• 3-Chloro 4-Fluorobenzonitrile
IUPAC Name: 3-chloro-4-fluorobenzonitrile | CAS Registry Number: 117482-84-5
Synonyms: 3-Chloro-4-fluorobenzonitrile, 376582_ALDRICH, 3-Chloro-4-fluoro-benzonitrile, ZINC00152696, JRD-0815, BTB 03621, CID145525, TL8000488, 3S210974

Molecular Formula: C7H3ClFNMolecular Weight: 155.556823 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VAHXXQJJZKBZDX-UHFFFAOYSA-N

• 3-Chloro-1 2-Propanediol
IUPAC Name: 3-chloropropane-1,2-diol | CAS Registry Number: 96-24-2
Synonyms: alpha-Chlorohydrin, Epibloc, Monochlorohydrin, Chlorodeoxyglycerol, Monochlorhydrin, Chlorhydrin, Chloropropanediol, Chlorohydrin, Glyceryl chloride, 3-Chloro-1,2-propanediol, Glycerol chlorohydrin, alpha-Chlorohydrine, 3-Chloropropanediol, .alpha.-Chlorohydrin, 3-Chloropropane-1,2-diol, 3-Chloropropylene glycol, Caswell No. 214A, Glycerin epichlorohydrin, Glycerol 3-chlorohydrin, 1,2-Propanediol, 3-chloro-

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

InChIKey: SSZWWUDQMAHNAQ-UHFFFAOYSA-N

• 3-Chlorobenzonitrile
IUPAC Name: 3-chlorobenzonitrile | CAS Registry Number: 766-84-7
Synonyms: m-Chlorobenzonitrile, m-Cyanochlorobenzene, Benzonitrile, 3-chloro-, BENZONITRILE, m-CHLORO-, C24809_ALDRICH, EINECS 212-172-6, Benzonitrile, 3-chloro- (9CI), NSC 59733, NSC59733, ZINC00404318, LS-38652, TL8005257, T5237200, InChI=1/C7H4ClN/c8-7-3-1-2-6(4-7)5-9/h1-4

Molecular Formula: C7H4ClNMolecular Weight: 137.566360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WBUOVKBZJOIOAE-UHFFFAOYSA-N

• 3-Chloropropionic Acid
IUPAC Name: 3-chloropropanoic acid | CAS Registry Number: 107-94-8
Synonyms: 3-Chloropropanoic acid, Propanoic acid, 3-chloro-, Propionic acid, 3-chloro-, 3-Chloropropanic acid, Chloropropanoic acid, Chloropropionic acid, beta-Chloropropionic acid, 3-CHLOROPROPIONIC ACID, Monochloropropionic acid, Propanoic acid, chloro-, Propionic acid, chloro-, beta-Monochloropropionic acid, WLN: QV2G, .beta.-Chloropropionic acid, HSDB 2053, NSC 174, .beta.-Monochloropropionic acid, 132691_ALDRICH, NSC174, EINECS 203-534-4

Molecular Formula: C3H5ClO2Molecular Weight: 108.523600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QEYMMOKECZBKAC-UHFFFAOYSA-N

• 3-Chloropropiophenone
IUPAC Name: 3-chloro-1-phenylpropan-1-one | CAS Registry Number: 936-59-4
Synonyms: beta-Chloropropiophenone, .beta.-Chloropropiophenone, 3-Chloropropanophenone, Propiophenone, 3-chloro-, omega-Chloropropiophenone, 2-Chloroethyl phenyl ketone, 1-Propanone, 3-chloro-1-phenyl-, .omega.-Chloropropiophenone, beta-Chloroethyl phenyl ketone, 335614_ALDRICH, 3-Chloro-1-phenyl-1-propanone, .beta.-Chloroethyl phenyl ketone, 26226_FLUKA, NSC37238, EINECS 213-317-6, NSC 37238, NSC227202, ZINC01669834, NSC 227202

Molecular Formula: C9H9ClOMolecular Weight: 168.620160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KTJRGPZVSKWRTJ-UHFFFAOYSA-N

• 3-Chloropropylamine hydrochloride
IUPAC Name: 3-chloropropan-1-amine hydrochloride | CAS Registry Number: 6276-54-6
Synonyms: 3-CHLOROPROPYLAMINE HCl, 142549_ALDRICH, NSC35893, 1-Amino-3-chloropropane hydrochloride, SL-00385

Molecular Formula: C3H9Cl2NMolecular Weight: 130.016260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: IHPRVZKJZGXTBQ-UHFFFAOYSA-N

• 3-Fluoro-4-hydroxybenzaldehyde
IUPAC Name: 3-fluoro-4-hydroxybenzaldehyde | CAS Registry Number: 405-05-0
Synonyms: 3-Fluoro-4-hydroxy-benzaldehyde, 4-hydroxy-3-fluorobenzaldehyde, SBB048182, AG-F-43627, ZINC02566026, PubChem1443, AC1LBQGN, ACMC-1ACQ8, KSC497M8T, 3-fluoro-4 hydroxybenzaldehyde, CTK3J7689, MolPort-000-155-584, 3-fluoranyl-4-oxidanyl-benzaldehyde, ACT00815, ALBB-006384, Benzaldehyde, 3-fluoro-4-hydroxy-, ANW-29424, CL8326, RW3566, STK503883

Molecular Formula: C7H5FO2Molecular Weight: 140.111803 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QSBHJTCAPWOIIE-UHFFFAOYSA-N

• 3-Fluoro-4-iodotoluene
IUPAC Name: 2-fluoro-1-iodo-4-methylbenzene | CAS Registry Number: 452-79-9
Synonyms: 2-fluoro-1-iodo-4-methylbenzene, 2-fluoro-1-iodo-4-methyl-benzene, PubChem1621, AC1MCOKK, SureCN242309, KSC493M8L, 635154_ALDRICH, CTK3J3685, MolPort-000-150-746, ACT00807, BUTTPARK 148\01-16, ANW-30253, SBB098504, ZINC00160543, AKOS009157793, AG-A-60077, AS02191, RP28207, AK-35223, KB-31801

Molecular Formula: C7H6FIMolecular Weight: 236.025413 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XVHYSMVSLDIUCM-UHFFFAOYSA-N

• 3-Fluoroanisole
IUPAC Name: 1-fluoro-3-methoxybenzene | CAS Registry Number: 456-49-5
Synonyms: m-Fluoroanisole, 1-FLUORO-3-METHOXYBENZENE, Benzene, 1-fluoro-3-methoxy-, NCIOpen2_001323, 162310_ALDRICH, NSC88277, EINECS 207-267-4, ZINC00388393, F105, TL8003177, InChI=1/C7H7FO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H

Molecular Formula: C7H7FOMolecular Weight: 126.128283 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MFJNOXOAIFNSBX-UHFFFAOYSA-N

• 3-Fluorophenol
IUPAC Name: 3-fluorophenol | CAS Registry Number: 372-20-3
Synonyms: 3-FLUOROPHENOL, Phenol, 3-fluoro-, m-Fluorophenol, Phenol, m-fluoro-, Ambap4386, 3-FLUORO-PHENOL, NCIOpen2_001026, Phenol, m-fluoro- (8CI), F13002_ALDRICH, Phenol, 3-fluoro- (9CI), 47271_FLUKA, NSC87078, EINECS 206-748-6, NSC 87078, ZINC00164911, F135, TL8002741, InChI=1/C6H5FO/c7-5-2-1-3-6(8)4-5/h1-4,8

Molecular Formula: C6H5FOMolecular Weight: 112.101703 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SJTBRFHBXDZMPS-UHFFFAOYSA-N

• 3-Fluorotoluene
IUPAC Name: 1-fluoro-3-methylbenzene | CAS Registry Number: 352-70-5
Synonyms: Toluene, m-fluoro-, M-FLUOROTOLUENE, 1-Fluoro-3-methylbenzene, 3-Fluorobenzyl radical, 1-Methyl-3-fluorobenzene, Benzene, 1-fluoro-3-methyl-, Ambap7192, Toluene, m-fluoro- (8CI), 162329_ALDRICH, NSC8860, NSC 8860, EINECS 206-524-8, UN2388, m-Fluorotoluene [UN2388] [Flammable liquid], InChI=1/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H, 2599-73-7

Molecular Formula: C7H7FMolecular Weight: 110.128883 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BTQZKHUEUDPRST-UHFFFAOYSA-N

• 3-Hydroxyanisole
IUPAC Name: 3-methoxyphenol | CAS Registry Number: 150-19-6
Synonyms: m-Methoxyphenol, m-Guaiacol, m-Hydroxyanisole, Phenol, 3-methoxy-, 3-METHOXYPHENOL, Phenol, m-methoxy-, 3-Hydroxyanisol, Resorcinol methyl ether, 3-(methyloxy)phenol, Resorcinol monomethyl ether, 1-Hydroxy-3-methoxybenzene, 3-METHOXY-PHENOL, 328456_ALDRICH, EINECS 205-754-6, NSC 21735, AIDS017861, AIDS-017861, NSC21735, ZINC00389516, AI3-00796

Molecular Formula: C7H8O2Molecular Weight: 124.137220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ASHGTJPOSUFTGB-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: C8H7IO2Molecular Weight: 262.044450 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LDDHMKANNXWUAK-UHFFFAOYSA-N

• 3-Iodobenzonitrile
IUPAC Name: 3-iodobenzonitrile | CAS Registry Number: 69113-59-3
Synonyms: Ambap5126, 529036_ALDRICH, ZINC00403478, CID144341

Molecular Formula: C7H4INMolecular Weight: 229.017830 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BGARPMGQRREXLN-UHFFFAOYSA-N

• 3-Mercapto-1,3,4-Triazol
IUPAC Name: 1,2-dihydro-1,2,4-triazole-3-thione | CAS Registry Number: 3179-31-5
Synonyms: Mercaptotriazole, S-Triazole-3-thiol, 3-Mercapto-1,2,4-triazole, 1,2,4-Triazole-3-thiol, 1,2,4-Triazole-5-thiol, 1,3,4-Triazine-2-thiol, 1,3,4-Triazole-2-thiol, 1H-1,2,4-Triazole-3-thiol, 2-Mercapto-1,3,5-triazole, 5-Mercapto-1,3,4-triazole, 4H-1,2,4-Triazole-3-thiol, 3-Mercapto-1H-1,2,4-triazole, 3-Mercapto-4H-1,2,4-triazole, 3(5)-Mercapto-1,2,4-triazole, M4412_SIGMA, 1H-1,2,4-Triazole, 3-mercapto-, ENT 61291, 104558_ALDRICH, 2-MERCAPTO-1,3,4-TRIAZOLE, STOCK3S-07754

Molecular Formula: C2H3N3SMolecular Weight: 101.130320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: AFBBKYQYNPNMAT-UHFFFAOYSA-N

• 3-Methoxyphenylacetic acid
IUPAC Name: 2-(3-methoxyphenyl)acetic acid | CAS Registry Number: 1798-09-0
Synonyms: m-Methoxyphenylacetic acid, (3-Methoxyphenyl)acetic acid, Benzeneacetic acid, 3-methoxy-, 3-Methoxybenzeneacetic acid, M19007_ALDRICH, ACETIC ACID, (m-METHOXYPHENYL)-, EINECS 217-282-8, BRN 2614004, Benzeneacetic acid, 3-methoxy- (9CI), LS-12418, ST5406154, TL80073588, 4-10-00-00541 (Beilstein Handbook Reference), InChI=1/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LEGPZHPSIPPYIO-UHFFFAOYSA-N

• 3-Methoxypyridine
IUPAC Name: 3-methoxypyridine | CAS Registry Number: 7295-76-3
Synonyms: Pyridine, 3-methoxy-, beta-Methoxypyridine, 3-Methoxy pyridine, 3-METHOXYPYRIDINE, .beta.-Methoxypyridine, 2-METHOXYPYRIDINE, 469890_ALDRICH, CID23719, EINECS 230-730-7, InChI=1/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1H, 1628-89-3

Molecular Formula: C6H7NOMolecular Weight: 109.125880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UMJSCPRVCHMLSP-UHFFFAOYSA-N

• 3-Nitro-4-Fluoro Aniline
IUPAC Name: 4-fluoro-3-nitroaniline | CAS Registry Number: 364-76-1
Synonyms: 4-Fluoro-3-nitroaniline, 3-Nitro-4-fluoroaniline, Aniline, 4-fluoro-3-nitro-, 4-Fluoro-3-nitrobenzenamine, Benzenamine, 4-fluoro-3-nitro-, Ambap1574, 4-Fluoro-3-nitro-aniline, 155861_ALDRICH, CHEBI:48642, EINECS 206-665-5, NSC 10293, ZINC01706159, CID67768, NSC10293, BRN 2210199, LS-19823, TL8002688, 4-12-00-01668 (Beilstein Handbook Reference), InChI=1/C6H5FN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H

Molecular Formula: C6H5FN2O2Molecular Weight: 156.114503 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LLIOADBCFIXIEU-UHFFFAOYSA-N

• 3-Nitrobenzaldehyde
IUPAC Name: 3-nitrobenzaldehyde | CAS Registry Number: 99-61-6
Synonyms: m-Nitrobenzaldehyde, 3-NITROBENZALDEHYDE, Benzaldehyde, 3-nitro-, Benzaldehyde, m-nitro-, 3-Formylnitrobenzene, 5-Nitrobenzaldehyde, nchembio804-comp6, meta-nitrobenzaldehyde, WLN: WNR CVH, CCRIS 1784, N10845_ALDRICH, NSC 5504, 72790_FLUKA, EINECS 202-772-6, CID7449, NSC5504, ZINC00163576, AI3-08906, LS-25108, ST5213383

Molecular Formula: C7H5NO3Molecular Weight: 151.119500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZETIVVHRRQLWFW-UHFFFAOYSA-N

• 4 4 Dihydroxy Diphenyl Sulphone
IUPAC Name: 4-(4-hydroxyphenyl)sulfonylphenol | CAS Registry Number: 80-09-1
Synonyms: Bisphenol S, 4,4'-Sulfonyldiphenol, Diphone C, 2,4'-Sulfonyldiphenol, 4-Hydroxyphenyl sulfone, 4,4'-Sulfonylbisphenol, 4,4'-Bisphenol S, 4,4'-Sulphonyldiphenol, Bis(4-hydroxyphenyl) sulfone, p,p'-Sulfonyldiphenol, Phenol, 4,4'-sulfonylbis-, Ambap5851, Bis(p-hydroxyphenyl) sulfone, Bis(p-hydroxyphenyl)sulfone, Bis(4-hydroxyphenyl)sulfone, WLN: QR DSWR DQ, BPS 1, 4,4'-Dihydroxydiphenyl sulfone, ChemDiv3_000253, PHENOL, 4,4'-SULFONYLDI-

Molecular Formula: C12H10O4SMolecular Weight: 250.270400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: VPWNQTHUCYMVMZ-UHFFFAOYSA-N

• 4'-Fluoroacetophenone
IUPAC Name: 1-(4-fluorophenyl)ethanone | CAS Registry Number: 403-42-9
Synonyms: p-Fluoroacetophenone, Acetophenone, 4'-fluoro-, 4-FLUOROACETOPHENONE, Ethanone, 1-(4-fluorophenyl)-, F3207_ALDRICH, 46450_FLUKA, CID9828, Acetophenone, 4'-fluoro- (8CI), NSC30635, EINECS 206-960-9, NSC 30635, ZINC00157311, F100, ST5213420, TL8002935

Molecular Formula: C8H7FOMolecular Weight: 138.138983 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZDPAWHACYDRYIW-UHFFFAOYSA-N

• 4,4 N,N,N,N-Tetraethyl-4,4-Diaminobenzophenone
IUPAC Name: bis[4-(dimethylamino)phenyl]methanone | CAS Registry Number: 90-94-8
Synonyms: Michler's ketone, Michler ketone, p,p'-Michler's ketone, Tetramethyldiaminobenzophenone, CCRIS 412, NCI-C02006, Oprea1_244376, Benzophenone, 4,4'-bis(dimethylamino)-, HSDB 2865, MLS000521340, p,p'-Bis(dimethylamino)benzophenone, 4,4'-BIS(DIMETHYLAMINO)BENZOPHENONE, di-p-dimethylaminophenyl ketone, NSC9602, (Tetramethyldiamino)benzophenone, 147834_ALDRICH, di-p-dimethylaminophenyl ketone, NSC 9602, 69770_FLUKA, EINECS 202-027-5

Molecular Formula: C17H20N2OMolecular Weight: 268.353500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VVBLNCFGVYUYGU-UHFFFAOYSA-N

• 4,4'-Dichloro Benzophenone
IUPAC Name: bis(4-chlorophenyl)methanone | CAS Registry Number: 90-98-2
Synonyms: 4,4'-Dichlorobenzophenone, DCBP, Di(p-chlorophenyl)ketone, p-Dichlorobenzophenone, USAF DO-4, Bis(4-chlorophenyl) ketone, Bis(p-chlorophenyl)ketone, Di(4-chlorophenyl)ketone, Bis(4-chlorophenyl)ketone, Methanone, bis(4-chlorophenyl)-, DBP (degradation product), DBP (VAN), MET854B_SUPELCO, Bis(4-chlorophenyl)methanone, Benzophenone, 4,4'-dichloro-, WLN: GR DVR DG, P,P'-DICHLOROBENZOPHENONE, 113700_ALDRICH, 45421_RIEDEL, NSC 8787

Molecular Formula: C13H8Cl2OMolecular Weight: 251.108020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OKISUZLXOYGIFP-UHFFFAOYSA-N

• 4-(Trifluoromethyl)benzenesulfonyl chloride
IUPAC Name: 4-(trifluoromethyl)benzenesulfonyl chloride | CAS Registry Number: 2991-42-6
Synonyms: 4-(trifluoromethyl)benzene-1-sulfonyl chloride, SBB063004, 4-trifluoromethyl-benzenesulfonylchloride, PubChem1959, AC1MCROO, ACMC-1CS6I, AC1Q4J3A, KSC201Q0N, Ambap2991-42-6, 565849_ALDRICH, Jsp005660, CTK1A1806, MolPort-000-146-853, 4-(Chlorosulphonyl)benzotrifluoride, ACN-P000623, ACN-S002585, ACN-S003894, AC-805, ANW-26732, AKOS001423836

Molecular Formula: C7H4ClF3O2SMolecular Weight: 244.618670 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: OZDCZHDOIBUGAJ-UHFFFAOYSA-N

• 4-Aminobenzonitrile
IUPAC Name: 4-aminobenzonitrile | CAS Registry Number: 873-74-5
Synonyms: 4-Cyanoaniline, p-Cyanoaniline, Benzonitrile, 4-amino-, Aniline, p-cyano-, Benzonitrile, p-amino-, P-AMINOBENZONITRILE, 1-Amino-4-cyanobenzene, para-aminobenzonitrile, WLN: ZR DCN, 147753_ALDRICH, C7H6N2, Benzonitrile, p-amino- (8CI), NSC 7625, 07010_FLUKA, EINECS 212-850-1, NSC7625, AIDS020236, AIDS-020236, BRN 0774507, BENZOIC ACID,4-AMINO,NITRILE

Molecular Formula: C7H6N2Molecular Weight: 118.135940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YBAZINRZQSAIAY-UHFFFAOYSA-N

• 4-Bromo benzonitrile
IUPAC Name: 4-bromobenzonitrile | CAS Registry Number: 623-00-7
Synonyms: p-Bromobenzonitrile, 4-BROMOBENZONITRILE, Benzonitrile, 4-bromo-, Benzonitrile, p-bromo-, 1-Bromo-4-cyanobenzene, WLN: NCR DE, B58407_ALDRICH, Benzonitrile, p-bromo- (8CI), NSC 3978, EINECS 210-764-9, NSC3978, ZINC00164599, AI3-00488, LS-38647, TL806447, ST5406341, AH-034/32461003, InChI=1/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4

Molecular Formula: C7H4BrNMolecular Weight: 182.017360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HQSCPPCMBMFJJN-UHFFFAOYSA-N

• 4-Bromo Benzyl Alcohol
IUPAC Name: (4-bromophenyl)methanol | CAS Registry Number: 873-75-6
Synonyms: 4-Bromobenzyl alcohol, p-Bromobenzyl alcohol, (4-Bromophenyl)methanol, Para-Bromobenzyl Alcohol, p-Bromo-benzyl alcohol, Benzyl alcohol, p-bromo-, Benzenemethanol, 4-bromo-, CCRIS 5119, 187054_ALDRICH, 16458_FLUKA, EINECS 212-851-7, AIDS017546, AIDS-017546, ZINC00404753, DB02822, LS-188207, ST5406657, TL8005672, BRB

Molecular Formula: C7H7BrOMolecular Weight: 187.033880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VEDDBHYQWFOITD-UHFFFAOYSA-N

• 4-Bromo-1,2-Dimethyl Benzene
IUPAC Name: 4-bromo-1,2-dimethylbenzene | CAS Registry Number: 583-71-1
Synonyms: 4-Bromo-o-xylene, 3,4-Xylyl bromide, o-Xylene, 4-bromo-, 3,4-Dimethylbromobenzene, 4-Bromo-1,2-xylene, 4-Bromo-1,2-dimethylbenzene, Benzene, 4-bromo-1,2-dimethyl-, 3,4-Dimethylphenyl bromide, 1-Bromo-3,4-dimethylbenzene, B83800_ALDRICH, NSC60147, EINECS 209-518-3, CID68504, BRN 2040354, o-Xylene, 4-bromo- (6CI,7CI,8CI), AI3-07015, LS-29196, ST5406329, TL8003740, 4-05-00-00928 (Beilstein Handbook Reference)

Molecular Formula: C8H9BrMolecular Weight: 185.061060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QOGHRLGTXVMRLM-UHFFFAOYSA-N

• 4-Bromo-1-Butene
IUPAC Name: 4-bromobut-1-ene | CAS Registry Number: 5162-44-7
Synonyms: sJPHAbIJuH@, 1-Bromo-3-butene, 1-Butene, 4-bromo-, 4-BROMO-1-BUTENE, 4-Bromobut-1-ene, 167851_ALDRICH, 16500_FLUKA, CID21241, EINECS 225-937-4, TL8003415, InChI=1/C4H7Br/c1-2-3-4-5/h2H,1,3-4H

Molecular Formula: C4H7BrMolecular Weight: 135.002380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: DMAYBPBPEUFIHJ-UHFFFAOYSA-N

• 4-Bromo-2,5-Dichlorophenol
IUPAC Name: 4-bromo-2,5-dichlorophenol; sodium | CAS Registry Number: 1940-42-7
Synonyms: 4-Bromo-2,5-dichlorophenol sodium salt, Phenol, 4-bromo-2,5-dichloro-, sodium salt, 50540-61-9

Molecular Formula: C6H3BrCl2NaOMolecular Weight: 264.887190 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: FYRVMZSKWATEMP-UHFFFAOYSA-N

• 4-Bromo-2,6-Dimethylphenol
IUPAC Name: 4-bromo-2,6-dimethylphenol | CAS Registry Number: 2374-05-2
Synonyms: 4-Bromo-2,6-xylenol, 4-Bromo-2,6-dimethylphenol, BROMODIMETHYLPHENOL, Phenol, 4-bromo-2,6-dimethyl-, NCIOpen2_002744, 2,6-XYLENOL, 4-BROMO-, 196371_ALDRICH, ARONIS005080, EINECS 219-153-1, NSC 63922, NSC63922, BRN 1862399, ZINC00389687, LS-162624, ST5308314, 3-06-00-01738 (Beilstein Handbook Reference), InChI=1/C8H9BrO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H, 58170-30-2

Molecular Formula: C8H9BrOMolecular Weight: 201.060460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ZLVFYUORUHNMBO-UHFFFAOYSA-N

• 4-Bromo-2-Chloro Toluene
IUPAC Name: 4-bromo-2-chloro-1-methylbenzene | CAS Registry Number: 89794-02-5
Synonyms: 4-Bromo-2-chlorotoluene, 4-bromo-2-chloro-1-methylbenzene, 2-chloro-4-bromotoluene, SBB055298, AG-H-63061, PubChem3603, 4-Bromo-2chlorotoluene, AC1MC3KS, ACMC-209r2x, SureCN168931, AC1Q2F3Y, KSC493Q5N, 528889_ALDRICH, CTK3J3856, ATTERCOP-CHM AT115973, MolPort-000-151-858, ACT01066, ANW-39367, ZINC00403471, AKOS005259080

Molecular Formula: C7H6BrClMolecular Weight: 205.479540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LIFMTDJMLRECMX-UHFFFAOYSA-N


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