AG00BZ55

374679-63-7 | Methyl 4-(3,4-Dichlorophenyl)-2,4-Dioxobutanoate

AG00BZ55

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CAS Number	374679-63-7
Catalog Number	AG00BZ55(AGN-PC-0WAMPL)
Chemical Name	Methyl 4-(3,4-Dichlorophenyl)-2,4-Dioxobutanoate
IUPAC Name	methyl 4-(3,4-dichlorophenyl)-2,4-dioxobutanoate
InChI	InChI=1S/C11H8Cl2O4/c1-17-11(16)10(15)5-9(14)6-2-3-7(12)8(13)4-6/h2-4H,5H2,1H3
InChI Key	WKHLTIOERAWZTL-UHFFFAOYSA-N
MDL Number	MFCD03001261
Molecular Formula	C11H8Cl2O4
Molecular Weight	275.0848
SMILES	COC(=O)C(=O)CC(=O)C1=CC(=C(C=C1)Cl)Cl
Synonyms	methyl 4-(3,4-dichlorophenyl)-2,4-dioxobutanoate, 374679-63-7, AK-69210, 4-(3,4-Dichloro-phenyl)-2,4-dioxo-butyric acid methyl ester, AC1MC920, methyldichlorophenyldioxobutanoate, CTK6I6936, DTXSID70377211, KS-00000O8I, 4786AB, ANW-55318, BDBM50083954, MFCD03001261, SBB021386, STK312470, AKOS000306314, ZINC100025121, 4N-522S, MCULE-7656364518, RP15278, RTR-063397, UPCMLD0ENAT5387931:001, AX8200108, ST2413377, TR-063397, 4CH-016738, ST45091537, C-4260, J-522231, Z94598481, 4-(3,4-Dichloro-phenyl)-2-hydroxy-4-oxo-but-2-enoic acid methyl ester, C11H8Cl2O4, CHEMBL22481, CID2763944, Methyl4-(3,4-dichlorophenyl)-2,4-dioxobutanoate, Methyl 4-(3,4-dichlorophenyl)-2,4-dioxo-butanoate,

Complexity	329
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	273.98g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	275.081g/mol
Monoisotopic Mass	273.98g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	60.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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