AG003I9Z

59843-75-3 | 3-(p-Tolyl)-1H-pyrazole

AG003I9Z

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CAS Number	59843-75-3
Catalog Number	AG003I9Z(AGN-PC-0OCZLS)
Chemical Name	3-(p-Tolyl)-1H-pyrazole
IUPAC Name	5-(4-methylphenyl)-1H-pyrazole
InChI	InChI=1S/C10H10N2/c1-8-2-4-9(5-3-8)10-6-7-11-12-10/h2-7H,1H3,(H,11,12)
InChI Key	VOMXXXBTALQTAK-UHFFFAOYSA-N
MDL Number	MFCD00665963
Molecular Formula	C10H10N2
Molecular Weight	158.1998
SMILES	CC1=CC=C(C2=NNC=C2)C=C1
Synonyms	59843-75-3, 3-(p-Tolyl)-1H-pyrazole, 3-(4-methylphenyl)-1H-pyrazole, 5-p-Tolyl-1H-pyrazole, 3-p-Tolyl-1H-pyrazole, 5-(4-methylphenyl)-1H-pyrazole, 3-(4-Methylphenyl)pyrazole, 3-(4-Tolyl)Pyrazole, p-Tolylpyrazol, 1H-Pyrazole, 3-(4-methylphenyl)-, pyrazole analogue, 7, 3-(p-Tolyl)pyrazole, AC1MBFZX, AC1Q2KFL, 5-(p-tolyl)-1H-pyrazole, SCHEMBL2765284, SCHEMBL16168729, BDBM17451, CTK6B8045, CTK8B1993, KS-00001OMB, DTXSID70369333, ACT07999, ZINC4243617, 3-p-Tolyl-1H-pyrazole, AldrichCPR, ANW-33368, ANW-53033, MFCD00665963, SBB023349, STK350511, AKOS000313116, AKOS000345349, CD-0728, MCULE-3384503079, RP10176, AJ-49580, AN-39532, DB-002524, TR-020727, FT-0680910, ST50658225, A-7706, 843M753, A832500, J-510943, I14-27679, 3- PYRAZOLE, ZINC04243617, CID2725023, 2-methyl-3-(1,3,4-oxadiazol-2-yl)aniline,

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.204g/mol
Monoisotopic Mass	158.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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