AG006R3E

98700-53-9 | 1,5-Diphenyl-1H-pyrazole-4-carboxylic acid

AG006R3E

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CAS Number	98700-53-9
Catalog Number	AG006R3E(AGN-PC-0L09D1)
Chemical Name	1,5-Diphenyl-1H-pyrazole-4-carboxylic acid
IUPAC Name	1,5-diphenylpyrazole-4-carboxylic acid
InChI	InChI=1S/C16H12N2O2/c19-16(20)14-11-17-18(13-9-5-2-6-10-13)15(14)12-7-3-1-4-8-12/h1-11H,(H,19,20)
InChI Key	XFYHUVOWHZCRFB-UHFFFAOYSA-N
MDL Number	MFCD02186759
Molecular Formula	C16H12N2O2
Molecular Weight	264.2787
SMILES	O=C(C1=C(C2=CC=CC=C2)N(C3=CC=CC=C3)N=C1)O
Synonyms	1,5-diphenyl-1H-pyrazole-4-carboxylic acid, 98700-53-9, 1,5-diphenylpyrazole-4-carboxylic acid, MLS000544895, AC1MWLAM, SCHEMBL4497271, CHEMBL1311159, CTK3I6260, KS-00000KTV, DTXSID40396616, HMS2334P07, ZINC2578152, 6921AC, MFCD02186759, AKOS005089342, MCULE-4962486720, AJ-42747, AK112709, AN-34626, SMR000126651, AX8035552, DB-080562, FT-0723757, 1H-Pyrazole-4-carboxylicacid, 1,5-diphenyl-, 3R-1031, 700D539, 1,5-Diphenyl-1H-pyrazole-4-carboxylic acid, AldrichCPR, C16H12N2O2, CID3801066, 1,5-Diphenyl-1H-pyrazole-4-carboxylicacid,

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	3.1

GHS Hazard and Precautionary Statements

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

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