AG005UKY

964-42-1 | 2,5-Diphenyl-2H-pyrazole-3-carboxylic acid

AG005UKY

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CAS Number	964-42-1
Catalog Number	AG005UKY(AGN-PC-0JZV69)
Chemical Name	2,5-Diphenyl-2H-pyrazole-3-carboxylic acid
IUPAC Name	2,5-diphenylpyrazole-3-carboxylic acid
InChI	InChI=1S/C16H12N2O2/c19-16(20)15-11-14(12-7-3-1-4-8-12)17-18(15)13-9-5-2-6-10-13/h1-11H,(H,19,20)
InChI Key	QRARAAONIFSAIX-UHFFFAOYSA-N
MDL Number	MFCD00277726
Molecular Formula	C16H12N2O2
Molecular Weight	264.2787
SMILES	O=C(C1=CC(C2=CC=CC=C2)=NN1C3=CC=CC=C3)O
Synonyms	1,3-diphenyl-1H-pyrazole-5-carboxylic acid, 964-42-1, 2,5-Diphenyl-2H-pyrazole-3-carboxylic acid, 2,5-diphenylpyrazole-3-carboxylic Acid, 1,3-diphenylpyrazole-5-carboxylic acid, AC1LKWJE, Cambridge id 5107746, SCHEMBL3260907, CTK5H8722, DTXSID90359998, ZINC732360, ALBB-028269, BB_SC-09749, ZX-AN052510, ZX-CM014880, 4525AF, BBL028485, KM3419, MFCD00277726, SBB040040, STL146844, AKOS000271303, MCULE-7810359801, NS-04150, DB-028940, FT-0713964, ST50179899, 1H-Pyrazole-5-carboxylic acid, 1,3-diphenyl-, AB00073838-01, Z56855706, C16H12N2O2, CID1051926,

Complexity	335
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.09g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	264.284g/mol
Monoisotopic Mass	264.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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