AG00GA44

81316-36-1 | Methyl 2-(3-bromophenyl)-2-oxoacetate

AG00GA44

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CAS Number	81316-36-1
Catalog Number	AG00GA44(AGN-PC-0UJ5L1)
Chemical Name	Methyl 2-(3-bromophenyl)-2-oxoacetate
IUPAC Name	methyl 2-(3-bromophenyl)-2-oxoacetate
InChI	InChI=1S/C9H7BrO3/c1-13-9(12)8(11)6-3-2-4-7(10)5-6/h2-5H,1H3
InChI Key	JHRVFNCYNNNVSI-UHFFFAOYSA-N
MDL Number	MFCD11973930
Molecular Formula	C9H7BrO3
Molecular Weight	243.0541
SMILES	O=C(OC)C(C1=CC=CC(Br)=C1)=O
Synonyms	METHYL 2-(3-BROMOPHENYL)-2-OXOACETATE, 81316-36-1, methyl (m-bromophenyl)glyoxylate, SCHEMBL1525400, CTK6I6921, DTXSID30469505, JHRVFNCYNNNVSI-UHFFFAOYSA-N, MFCD11973930, ZINC35940443, AKOS022176231, NE33413, AJ-92274, AK143702, DA-03147, SC-90838, 3-Bromo-oxo-benzeneacetic acid methyl ester, FT-0739034, (3-bromo-phenyl)-oxo-acetic Acid Methyl Ester, CID11615668, Methyl 2-(3-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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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