AG003KMN

6123-63-3 | 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethanone

AG003KMN

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CAS Number	6123-63-3
Catalog Number	AG003KMN(AGN-PC-0JLSIA)
Chemical Name	1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethanone
EC Number	228-091-4
IUPAC Name	1-(5-methyl-1-phenylpyrazol-4-yl)ethanone
InChI	InChI=1S/C12H12N2O/c1-9-12(10(2)15)8-13-14(9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChI Key	FZEDJUVQMGBVRC-UHFFFAOYSA-N
MDL Number	MFCD00020733
Molecular Formula	C12H12N2O
Molecular Weight	200.2365
NSC Number	140728
SMILES	CC(C1=C(C)N(C2=CC=CC=C2)N=C1)=O
Synonyms	6123-63-3, 4-acetyl-5-methyl-1-phenylpyrazole, 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethanone, 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one, 1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-1-ethanone, 1-(5-methyl-1-phenylpyrazol-4-yl)ethanone, Methyl 5-methyl-1-phenyl-4-pyrazolyl ketone, FZEDJUVQMGBVRC-UHFFFAOYSA-N, MFCD00020733, 4-Acetyl-5-methyl-1-phenyl-1H-pyrazole, EINECS 228-091-4, NSC140728, ACMC-1BAGT, AC1L2YZA, AC1Q1JCG, Maybridge1_003233, methylphenylpyrazolylethanone, AC1Q5GM9, MLS000720820, SCHEMBL2544046, CHEMBL1448664, CTK5B2900, HMS550K21, DTXSID00210142, HMS2653E14, ZINC141290, 6658AE, BBL034675, CCG-52271, SBB092621, STL428828, 4-acetyl-5-methyl-1-phenyl pyrazole, AKOS000348760, MCULE-9558328577, NSC-140728, RP11715, VP20092, NCGC00246532-01, AJ-12436, CD 09766, SMR000334160, ZB004914, DB-053817, TR-021091, FT-0605794, ST50407193, 1-(5-methyl-1-phenyl-pyrazol-4-yl)ethanone, EN300-26896, methyl 5-methyl-1-phenylpyrazole-4-yl ketone, 1B-053, 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethanone #, Ethanone,1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-, J-503435, SR-01000641515-1, Ethanone, 1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-, I14-27614, Z235342055, C12H12N2O, CID80207, AR-1J5565, C12-H12-N2-O, 6271-68-7,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.095g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.241g/mol
Monoisotopic Mass	200.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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

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