AG00066T

10199-68-5 | 1H-Pyrazole, 4-phenyl-

AG00066T

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CAS Number	10199-68-5
Catalog Number	AG00066T(AGN-PC-0JMQK8)
Chemical Name	1H-Pyrazole, 4-phenyl-
IUPAC Name	4-phenyl-1H-pyrazole
InChI	InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-7H,(H,10,11)
InChI Key	GPGKNEKFDGOXPO-UHFFFAOYSA-N
MDL Number	MFCD00462204
Molecular Formula	C9H8N2
Molecular Weight	144.1732
SMILES	C1(=CC=CC=C1)C=1C=NNC1
Synonyms	4-Phenyl-1H-pyrazole, 10199-68-5, 4-Phenylpyrazole, 1H-Pyrazole, 4-phenyl-, Pyrazole, 4-phenyl-, 4-(C6H5)-pyrazole, CHEMBL390066, GPGKNEKFDGOXPO-UHFFFAOYSA-N, 4-Phenyl-1H-pyrazole #, pyrazole-based inhibitor 5, AC1L3EA5, SCHEMBL82741, AC1Q4W05, JMC514968 Compound 35, BDBM16215, CTK0H9678, DTXSID80144491, ABLOCK AB-12-2432, BCP09906, KS-00000P6I, ZINC3164652, MFCD00462204, AKOS005198822, AB06118, AS06546, CM10493, CS-W022231, MCULE-5589155043, RP20928, NCGC00333584-01, AJ-44664, AK-30224, BS-13375, AB0134942, DB-058747, 4CH-003488, FT-0646841, ST24043982, EN300-07023, K-0273, AB01329407-02, J-515933, Z56940955, CID139106, ZINC03164652,

Complexity	119
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.069g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	144.177g/mol
Monoisotopic Mass	144.069g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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

Lot Number