AG003JY7

17616-04-5 | 4-(1H-Imidazol-1-yl)benzoic acid

AG003JY7

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CAS Number	17616-04-5
Catalog Number	AG003JY7(AGN-PC-0JVOF0)
Chemical Name	4-(1H-Imidazol-1-yl)benzoic acid
IUPAC Name	4-imidazol-1-ylbenzoic acid
InChI	InChI=1S/C10H8N2O2/c13-10(14)8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,(H,13,14)
InChI Key	LFIDZIWWYNTQOQ-UHFFFAOYSA-N
MDL Number	MFCD00586645
Molecular Formula	C10H8N2O2
Molecular Weight	188.1827
SMILES	O=C(O)C1=CC=C(N2C=CN=C2)C=C1
Synonyms	4-(1H-Imidazol-1-yl)benzoic acid, 17616-04-5, 4-(1-imidazolyl)benzoic acid, 4-(imidazol-1-yl)benzoic acid, 4-imidazol-1-ylbenzoic acid, Benzoic acid, 4-(1H-imidazol-1-yl)-, 4-(1H-Imidazole-1-yl)benzoic acid, 4-(IMIDAZOL-1-YL)-BENZOIC ACID, 4-imidazolylbenzoic acid, 4-(1H-imidazol-1-yl)benzoicacid, SDCCGMLS-0066008.P001, AC1LEIBY, PubChem19564, AC1Q5TX8, Oprea1_400367, SCHEMBL62049, 4-imidazol-1-yl benzoic acid, 4-imidazol-1-yl-benzoic acid, 4-(Imidazol-1-yl)benzoicacid, Jsp003615, CTK4D6100, DTXSID90353057, LFIDZIWWYNTQOQ-UHFFFAOYSA-N, ZINC158888, AC1Q7363, ALBB-031371, CI-584, MFCD00586645, SBB052662, 4-(1H-Imidazol -1-yl)benzoic acid, AKOS000260659, AC-2821, AC-2826, Benzoic acid,4-(1H-imidazol-1-yl)-, MCULE-6306741653, PS-4292, RP03573, TRA0014477, VZ35279, KS-00002A54, AJ-15390, AN-13564, BC256541, SC-23076, SY003057, AB0020151, ST2405306, TX-016801, 4CH-003929, FT-0616791, ST50477312, V0941, EN300-24282, K-5413, MFCD00586645 (95+%), 616I045, J-640093, J-800096, W-206233, I14-17461, 4-(1H-Imidazol-1-yl)benzaldehyde, C10H8N2O2, 4-chloro-1-(2-thienyl)butanone, AR-1F5603, CID736529, 4-(1H-Imidazol-1-yl)benzoic acid, 95% - 1G 1g, 10040-98-9, 17692-63-6,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.059g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	188.186g/mol
Monoisotopic Mass	188.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number