AG0036DP

850375-11-0 | 3-(1H-Pyrazol-5-yl)benzoic acid

AG0036DP

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CAS Number	850375-11-0
Catalog Number	AG0036DP(AGN-PC-0KL7LU)
Chemical Name	3-(1H-Pyrazol-5-yl)benzoic acid
IUPAC Name	3-(1H-pyrazol-5-yl)benzoic acid
InChI	InChI=1S/C10H8N2O2/c13-10(14)8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,(H,11,12)(H,13,14)
InChI Key	RXZRBZWATRFHCS-UHFFFAOYSA-N
MDL Number	MFCD03407956
Molecular Formula	C10H8N2O2
Molecular Weight	188.1827
SMILES	O=C(O)C1=CC=CC(C2=CC=NN2)=C1
Synonyms	3-(1H-pyrazol-5-yl)benzoic acid, 850375-11-0, 3-(1H-pyrazol-3-yl)benzoic acid, 3-(2H-pyrazol-3-yl)benzoic Acid, Benzoic acid, 3-(1H-pyrazol-3-yl)-, CHEMBL497801, 5-(3-Carboxyphenyl)-1H-pyrazole, PubChem22748, AC1MDTM0, buttpark 44\01-87, 3-pyrazol-3-ylbenzoic acid, 3-pyrazol-5-ylbenzoic acid, SCHEMBL939810, CTK5F3854, CTK7I8615, DTXSID80383762, RXZRBZWATRFHCS-UHFFFAOYSA-N, 3-(2h-pyrazol-3-yl)-benzoicacid, KS-00002A0D, ZINC4200665, ZX-AT019147, 3-(1H-Pyrazole-3-yl)benzoic acid, ANW-47760, BDBM50265607, MFCD03407956, SBB052625, AKOS000425295, AKOS006283724, Benzoic acid,3-(1H-pyrazol-3-yl)-, MCULE-4268089220, OR43585, PS-3700, RP03583, AC-22871, AJ-75400, AK-30434, AN-27010, BR-30434, EN002197, SC-44108, TS-02644, AX8079061, DB-002478, RT-008285, ST2417332, TC-136505, FT-0687578, ST50570574, W8780, J3.659.861A, 3-(1H-pyrazol-3-yl)benzoic acid, AldrichCPR, S-6877, 375P110, A841068, I14-9690, J-510432, F3379-1035, 3- benzoicacid, D0TX9P, 3-(3-Carboxyphenyl)-1H-pyrazole, C10H8N2O2, 2-Fluoro-5-(tributylstannyl)pyridine, CID2795542,

Complexity	220
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	2
Isotope Atom Count	0
Molecular Weight	188.186g/mol
Monoisotopic Mass	188.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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