AG003L2N

4433-79-8 | N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide

AG003L2N

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CAS Number	4433-79-8
Catalog Number	AG003L2N(AGN-PC-0JLR6O)
Chemical Name	N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide
EC Number	224-638-6
IUPAC Name	N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide
InChI	InChI=1S/C12H14ClNO4/c1-7(15)4-12(16)14-9-6-10(17-2)8(13)5-11(9)18-3/h5-6H,4H2,1-3H3,(H,14,16)
InChI Key	MOUVJGIRLPZEES-UHFFFAOYSA-N
MDL Number	MFCD00026256
Molecular Formula	C12H14ClNO4
Molecular Weight	271.6969
NSC Number	50638
SMILES	COC1=CC(NC(=O)CC(C)=O)=C(OC)C=C1Cl
UNII	J086QHJ1OC
Synonyms	4433-79-8, 4'-Chloro-2',5'-dimethoxyacetoacetanilide, N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide, Naphthol AS-IRG, Naphtol AS-IRG, Naphtanilide LRG, Naphtazol 4J, Naphtol AS-LGLL, Naphthol AS 13GH, Butanamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo-, 2,5-Dimethoxy-4-chloroacetoacetanilide, UNII-J086QHJ1OC, C.I. Azoic Coupling Component 44, Acetoacetyl-2,5-dimethoxy-4-chloroanilide, C.I. 37613, EINECS 224-638-6, Acetoacetanilide, 4'-chloro-2',5'-dimethoxy-, NSC 50638, J086QHJ1OC, DSSTox_CID_9265, ACETOACET-2,5-DIMETHOXY-4-CHLOROANILIDE, DSSTox_RID_78740, DSSTox_GSID_29265, W-106200, CAS-4433-79-8, AC1Q3MNH, ACMC-1AKF0, EC 224-638-6, AC1L2UN4, Azoic Coupling Component 44, CBDivE_007661, SCHEMBL1118436, CHEMBL3185016, DTXSID5029265, CTK4I8127, MOUVJGIRLPZEES-UHFFFAOYSA-, NSC50638, ZERO/005452, ZINC1682065, ZX-AH008408, Tox21_201666, Tox21_303485, ANW-30091, BBL003545, MFCD00026256, NSC-50638, SBB013432, STK520725, AKOS000165629, 4-Chloro-2,5-dimethoxyacetoacetanilide, ACM4433798, MCULE-2062409423, ABA-9371898, KS-0000127D, Acetoacet 2,5 Dimethoxy 4 Chloroanilide, NCGC00249094-01, NCGC00257262-01, NCGC00259215-01, AJ-29708, AN-21013, AX8020849, C.I.37613, LS-167408, ST4121989, TC-118836, FT-0654070, 4\'-Chloro-2\',5\'-dimethoxyacetoacetanilide, N-(2,5-Dimethoxy-4-chlorphenyl)-acetoacetamid, Y-8542, AB00075319-01, N-(4-Chloro-2,5-dimethoxyphenyl)acetoacetamide, A826549, C-36221, I01-6409, Acetoacetanilide, 4'-chloro-2',5'-dimethoxy- (8CI), Butanamide,N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo-, N-(4-chloro-2,5-dimethoxy-phenyl)-3-oxo-butanamide, N-(4-chloranyl-2,5-dimethoxy-phenyl)-3-oxidanylidene-butanamide, InChI=1/C12H14ClNO4/c1-7(15)4-12(16)14-9-6-10(17-2)8(13)5-11(9)18-3/h5-6H,4H2,1-3H3,(H,14,16), C12H14ClNO4, Acetoacetanilide,5'-dimethoxy-, C12-H14-Cl-N-O4, CID78170, AR-1J9015, Butanamide,5-dimethoxyphenyl)-3-oxo-, C2100, Butanamida, n-(4-cloro-2,5-dimetoxifenil)-3-oxo-, ACETOACET-2,5-DIMETHXOY-4-CHLORANILIDE(NAPHTHOL AS-IRG), 89793-49-7,

Complexity	311
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	271.061g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	271.697g/mol
Monoisotopic Mass	271.061g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	64.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H312-H332-H341-H412
Packing Group	Ⅲ
Precautionary statements	P273-P280
UN Code	UN 2811

Certificate of Analysis

Lot Number