AG002DD5

20139-55-3 | Butanamide, N-(4-chloro-2-methylphenyl)-3-oxo-

AG002DD5

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CAS Number	20139-55-3
Catalog Number	AG002DD5(AGN-PC-0JNUV1)
Chemical Name	Butanamide, N-(4-chloro-2-methylphenyl)-3-oxo-
EC Number	243-540-4
IUPAC Name	N-(4-chloro-2-methylphenyl)-3-oxobutanamide
InChI	InChI=1S/C11H12ClNO2/c1-7-5-9(12)3-4-10(7)13-11(15)6-8(2)14/h3-5H,6H2,1-2H3,(H,13,15)
InChI Key	ODFRAIZRJMUPCP-UHFFFAOYSA-N
MDL Number	MFCD00018493
Molecular Formula	C11H12ClNO2
Molecular Weight	225.6715
NSC Number	87579
SMILES	CC(=O)CC(=O)NC1=CC=C(Cl)C=C1C
Synonyms	20139-55-3, n-(4-chloro-2-methylphenyl)-3-oxobutanamide, 4'-Chloro-2'-methylacetoacetanilide, Butanamide, N-(4-chloro-2-methylphenyl)-3-oxo-, o-Acetoacetotoluidide, 4'-chloro-, 1-Acetoacetylamino-2-methyl-4-chlorobenzene, Acetoacet-4-chloro-2-methylanilide, 4'-Chloro-Ortho-Acetoacetotoluidide, EINECS 243-540-4, NSC 87579, BRN 2731424, o-ACETOACETANISIDIDE, 4'-CHLORO-, Butyranilide, 4'-chloro-2'-methyl-3-oxo-, NSC-87579, NSC87579, AC1L5Z6G, AC1Q3LP5, 3-12-00-01918 (Beilstein Handbook Reference), ACMC-209f63, AC1Q1K29, SCHEMBL8824873, Jsp004115, DTXSID2051843, CTK4E3380, ODFRAIZRJMUPCP-UHFFFAOYSA-, 4-Chloro-2-methylacetoacetanilide, ZINC449314, Acetoacet-2-methyl-4-chloroanilide, KS-000016BV, N-Acetoacetyl-4-chloro-o-toluidine, N-(4-Chloro-o-tolyl)acetoacetamide, Toluidide, 4'-chloro-O-acetoaceto-, ANW-23929, MFCD00018493, STK151278, AKOS000165412, MCULE-9070423197, N-Acetoacetyl-4-chloro-2-methylaniline, AJ-22957, LS-13044, Q207, ZB014099, TC-112674, FT-0637951, ST50443352, Butanamide,N-(4-chloro-2-methylphenyl)-3-oxo-, 139C553, A814274, SR-01000227070, I01-6405, SR-01000227070-1, N-(4-chloranyl-2-methyl-phenyl)-3-oxidanylidene-butanamide, InChI=1/C11H12ClNO2/c1-7-5-9(12)3-4-10(7)13-11(15)6-8(2)14/h3-5H,6H2,1-2H3,(H,13,15), C11H12ClNO2, C11-H12-Cl-N-O2, AR-1J9023, CID258549, 4-Chloro-2-methyl-N-acetoacetanilide, 4'-Chloro-2'-methyl-N-acetoacetanilide, C2104, ACETOACET-P-CHLORO-O-TOLUIDIDE(AAPCOT), 36034-89-6,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.056g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.672g/mol
Monoisotopic Mass	225.056g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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