AG0010GC

132274-70-5 | 1H-Pyrazole-5-carboxaldehyde, 1-phenyl-

AG0010GC

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CAS Number	132274-70-5
Catalog Number	AG0010GC(AGN-PC-0KKXMH)
Chemical Name	1H-Pyrazole-5-carboxaldehyde, 1-phenyl-
IUPAC Name	2-phenylpyrazole-3-carbaldehyde
InChI	InChI=1S/C10H8N2O/c13-8-10-6-7-11-12(10)9-4-2-1-3-5-9/h1-8H
InChI Key	OQORFMABOZEDBL-UHFFFAOYSA-N
MDL Number	MFCD00103497
Molecular Formula	C10H8N2O
Molecular Weight	172.1833
SMILES	C1(=CC=CC=C1)[N]2C(=CC=N2)C=O
Synonyms	1-phenyl-1H-pyrazole-5-carbaldehyde, 132274-70-5, 2-phenylpyrazole-3-carbaldehyde, 1H-Pyrazole-5-carboxaldehyde, 1-phenyl-, OQORFMABOZEDBL-UHFFFAOYSA-N, 1-phenylpyrazole-5-carbaldehyde, 1-Phenyl-1H-pyrazole-5-carboxaldehyde, AC1MCR2D, SCHEMBL1779238, CTK4B7838, KS-00000MCY, DTXSID80380190, ZINC159011, ACN-P000970, ALBB-018084, ANW-49428, MFCD00103497, SBB046386, AKOS005168954, ACN-000308, MCULE-2928743043, PS-4306, RP02714, RTR-004421, AJ-15442, AK-29832, BR-29832, CJ-01865, ZB007175, AB0035479, ST2415455, TR-004421, 4CH-014607, CS-0060550, FT-0608225, ST45136288, X9826, A12126, S-5938, 1-phenyl-1H-pyrazole-5-carbaldehyde, AldrichCPR, W-205400, I14-107567, C10H8N2O, ZINC00159011, CID2776567,

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.064g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.187g/mol
Monoisotopic Mass	172.064g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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