AG0029X9

20518-17-6 | 1-(4-Methylphenyl)pyrazole

AG0029X9

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CAS Number	20518-17-6
Catalog Number	AG0029X9(AGN-PC-0JWECX)
Chemical Name	1-(4-Methylphenyl)pyrazole
IUPAC Name	1-(4-methylphenyl)pyrazole
InChI	InChI=1S/C10H10N2/c1-9-3-5-10(6-4-9)12-8-2-7-11-12/h2-8H,1H3
InChI Key	XJYIPDKSWROWBM-UHFFFAOYSA-N
MDL Number	MFCD00748760
Molecular Formula	C10H10N2
Molecular Weight	158.1998
SMILES	CC1=CC=C(N2N=CC=C2)C=C1
Synonyms	20518-17-6, 1-p-Tolyl-1H-pyrazole, 1-p-Tolylpyrazole, 1-(p-tolyl)-1H-pyrazole, 1-(4-methylphenyl)-1H-pyrazole, 1-(4-methylphenyl)pyrazole, 1H-Pyrazole, 1-(4-methylphenyl)-, BAS 00231898, N-(p-tolyl)pyrazole, AC1LFVWO, PubChem13282, 1-(p-Methylphenyl)pyrazole, SCHEMBL82721, 1-(4-tolyl)-1H-pyrazole, MLS000712353, AC1Q4X51, CHEMBL1869783, CTK0J9592, DTXSID00355628, XJYIPDKSWROWBM-UHFFFAOYSA-N, HMS1676I13, HMS2689E21, ZINC321066, ACN-P001014, MFCD00748760, AKOS000588820, ACN-001014, FS-5678, MCULE-8157739798, VP20037, AJ-19239, SC-13883, SMR000282120, DB-066228, FT-0736152, ST24037632, 518T176, A814636, A814749, 1H-Pyrazole,1-(4-methylphenyl)-, AR-1C5572, CID809797, ZINC00321066, 2062-25-1,

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	0
Isotope Atom Count	0
Molecular Weight	158.204g/mol
Monoisotopic Mass	158.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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