AG000U6X

13024-90-3 | 3H-​Pyrazol-​3-​one, 2-​(4-​chlorophenyl)​-​2,​4-​dihydro-​5-​methyl-

AG000U6X

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CAS Number	13024-90-3
Catalog Number	AG000U6X(AGN-PC-0JLU9X)
Chemical Name	3H-​Pyrazol-​3-​one, 2-​(4-​chlorophenyl)​-​2,​4-​dihydro-​5-​methyl-
EC Number	235-884-9
IUPAC Name	2-(4-chlorophenyl)-5-methyl-4H-pyrazol-3-one
InChI	InChI=1S/C10H9ClN2O/c1-7-6-10(14)13(12-7)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3
InChI Key	WHIXQFSPEDIMGL-UHFFFAOYSA-N
MDL Number	MFCD00043814
Molecular Formula	C10H9ClN2O
Molecular Weight	208.6443
SMILES	O=C1N(N=C(C1)C)c1ccc(cc1)Cl
Synonyms	13024-90-3, 1-(4-Chlorophenyl)-3-methyl-2-pyrazolin-5-one, 3H-Pyrazol-3-one, 2-(4-chlorophenyl)-2,4-dihydro-5-methyl-, 2-(4-Chloro-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one, 1-(4-chlorophenyl)-3-methyl-1H-pyrazol-5(4H)-one, 2-(4-Chlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one, 2-(4-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one, EINECS 235-884-9, AC1Q2PHA, CBMicro_016393, AC1L34LT, AC1Q3R9N, Cambridge id 5303531, 2-(4-chlorophenyl)-5-methyl-4H-pyrazol-3-one, ACMC-1C00T, 3-methyl-1-(4'-chlorophenyl)-2-pyrazolin-5-one, KSC490E1F, MLS000710891, CHEMBL373839, SCHEMBL4325917, DTXSID8065325, CTK3J0212, WHIXQFSPEDIMGL-UHFFFAOYSA-N, HMS1673L17, HMS2632D19, CCG-5510, BBL005259, MFCD00043814, STK392867, AKOS000269643, ZINC100047782, MCULE-4372317714, RTR-004122, TRA0086910, NCGC00245142-01, BAS 00516359, CJ-12521, SMR000280658, BIM-0016518.P001, 3-Methyl-1-(4-chlorophenyl)-5-pyrazolone, TR-004122, FT-0605609, H2430, 1-(4-Chlorophenyl)-3-methyl-5(4H)-pyrazolone, 1-(p-chlorophenyl)-3-methyl-2-pyrazolin-5-one, AB00079523-01, I14-46301, (4-Chloro-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one, 1-(4-Chlorophenyl)-3-methyl-2-pyrazolin-5-one, 97%, 2-(4-chlorophenyl)-5-methyl-2,4-dihydropyrazol-3-one, 2-(4-chlorphenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one, 1-(4-chlorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one, C10H9ClN2O, C10-H9-Cl-N2-O, CID83055, AR-1C7740, c0953, ZINC00173029, 1-(4'-Chlorophenyl)-3-methyl-5-pyrazolone, 1-(4-Chlorophenyl)-3-methyl-5-pyrazolone, 2-Pyrazolin-5-one, 1-(p-chlorophenyl)-3-methyl-, 1-(4-Chlorophenyl)-3-methyl-5-pyrazolone, 97% 25g, 1-(4-Chlorophenyl)-3-methyl-5-pyrazolone, 98% - 100G 100g, 13109-70-1,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.04g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	208.645g/mol
Monoisotopic Mass	208.04g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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