AG00176H

122394-38-1 | Benzeneacetic acid, 2-bromo-α-oxo-, methyl ester

AG00176H

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CAS Number	122394-38-1
Catalog Number	AG00176H(AGN-PC-0PG5BO)
Chemical Name	Benzeneacetic acid, 2-bromo-α-oxo-, methyl ester
IUPAC Name	methyl 2-(2-bromophenyl)-2-oxoacetate
InChI	InChI=1S/C9H7BrO3/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5H,1H3
InChI Key	SCPBADGYTPFIQF-UHFFFAOYSA-N
MDL Number	MFCD18206246
Molecular Formula	C9H7BrO3
Molecular Weight	243.0541
SMILES	O=C(OC)C(C1=CC=CC=C1Br)=O
Synonyms	Methyl 2-(2-bromophenyl)-2-oxoacetate, 122394-38-1, AK143704, methyl 2-bromophenylglyoxylate, SCHEMBL8214376, KS-00000RZY, DTXSID50447325, SCPBADGYTPFIQF-UHFFFAOYSA-N, MFCD18206246, ZINC95929588, AKOS022176251, DS-7712, FCH1364288, 2-Bromophenyloxoacetic acid methyl ester, AJ-135573, AX8261228, ST24047604, Benzeneacetic acid, 2-bromo-alpha-oxo-, methyl ester, CID10890094, Methyl 2-(2-bromophenyl)-2-oxo-acetate,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.958g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	243.056g/mol
Monoisotopic Mass	241.958g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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