AG00I6XG

34966-50-2 | Methyl 2-(3-chlorophenyl)-2-oxoacetate

AG00I6XG

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CAS Number	34966-50-2
Catalog Number	AG00I6XG(AGN-PC-00K7Q7)
Chemical Name	Methyl 2-(3-chlorophenyl)-2-oxoacetate
IUPAC Name	methyl 2-(3-chlorophenyl)-2-oxoacetate
InChI	InChI=1S/C9H7ClO3/c1-13-9(12)8(11)6-3-2-4-7(10)5-6/h2-5H,1H3
InChI Key	LLOQGKAPBBNIPV-UHFFFAOYSA-N
MDL Number	MFCD11617602
Molecular Formula	C9H7ClO3
Molecular Weight	198.6031
SMILES	COC(=O)C(=O)C1=CC(=CC=C1)Cl
Synonyms	METHYL 2-(3-CHLOROPHENYL)-2-OXOACETATE, 34966-50-2, Methyl 3-chlorobenzoylformate, SCHEMBL2878179, CTK6I6922, LLOQGKAPBBNIPV-UHFFFAOYSA-N, Methyl (3-chlorophenyl)(oxo)acetate, ZINC95729533, AKOS006315540, 3-Chlorophenyloxoacetic acid methyl ester, AJ-133709, 3-Chloro-oxo-benzeneacetic acid methyl ester,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.008g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	198.602g/mol
Monoisotopic Mass	198.008g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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