AG0029HF

2044-72-6 | N-(2,5-Dichlorophenyl)-3-oxobutanamide

AG0029HF

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CAS Number	2044-72-6
Catalog Number	AG0029HF(AGN-PC-0JLBWT)
Chemical Name	N-(2,5-Dichlorophenyl)-3-oxobutanamide
EC Number	218-060-3
IUPAC Name	N-(2,5-dichlorophenyl)-3-oxobutanamide
InChI	InChI=1S/C10H9Cl2NO2/c1-6(14)4-10(15)13-9-5-7(11)2-3-8(9)12/h2-3,5H,4H2,1H3,(H,13,15)
InChI Key	HLMZZYYGOKOOTA-UHFFFAOYSA-N
MDL Number	MFCD00018520
Molecular Formula	C10H9Cl2NO2
Molecular Weight	246.0900
NSC Number	3911
SMILES	O=C(C)CC(NC1=CC(Cl)=CC=C1Cl)=O
Synonyms	2',5'-Dichloroacetoacetanilide, 2044-72-6, N-(2,5-Dichlorophenyl)-3-oxobutanamide, Acetoacetic acid-2,5-dichloroanilide, Butanamide, N-(2,5-dichlorophenyl)-3-oxo-, Acetoacetanilide, 2',5'-dichloro-, 2,5-Dichloroacetoacetanilide, MFCD00018520, NSC3911, NSC 3911, EINECS 218-060-3, AI3-03270, AC1L2MUE, ACMC-1CG2H, AC1Q1K2E, AC1Q3OF1, SCHEMBL54924, Acetoacetanilide,5'-dichloro-, DTXSID1062126, CTK4E4242, ZINC87544, HLMZZYYGOKOOTA-UHFFFAOYSA-N, N-Acetoacetyl-2,5-dichloroaniline, NSC-3911, 5841AF, ANW-24083, BBL004929, Butanamide,5-dichlorophenyl)-3-oxo-, HTS028067, SBB005786, STL090842, N-(2,5-Dichlorphenyl)-acetoacetamid, AKOS000166177, MCULE-2528184096, KS-000015F4, AN-25026, ZB003133, N-(2,5-dichlorophenyl)-3-oxo-butanamide, Butanamide,N-(2,5-dichlorophenyl)-3-oxo-, N-(2,5-Dichlorophenyl)-3-oxobutanamide #, TC-112828, D1009, FT-0633996, H2537, ST50307376, I14-57921, N-(2,5-Dichlorophenyl)-3-oxobutanamide, AldrichCPR, InChI=1/C10H9Cl2NO2/c1-6(14)4-10(15)13-9-5-7(11)2-3-8(9)12/h2-3,5H,4H2,1H3,(H,13,15, C10H9Cl2NO2, C10-H9-Cl2-N-O2, CID74890, AR-1J7449, 20884-78-0,

Complexity	258
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.001g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	246.087g/mol
Monoisotopic Mass	245.001g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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