AG0070ME

21575-91-7 | Benzenepropanoic acid,3-bromo-b-oxo-, ethyl ester

AG0070ME

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CAS Number	21575-91-7
Catalog Number	AG0070ME(AGN-PC-0JNFDK)
Chemical Name	Benzenepropanoic acid,3-bromo-b-oxo-, ethyl ester
IUPAC Name	ethyl 3-(3-bromophenyl)-3-oxopropanoate
InChI	InChI=1S/C11H11BrO3/c1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3
InChI Key	JSVMCOQPWKQNGU-UHFFFAOYSA-N
MDL Number	MFCD03424812
Molecular Formula	C11H11BrO3
Molecular Weight	271.1072
SMILES	C(=O)(CC(=O)OCC)c1cc(Br)ccc1
Synonyms	21575-91-7, ethyl 3-(3-bromophenyl)-3-oxopropanoate, Ethyl (3-bromobenzoyl)acetate, 3-(3-BROMO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER, Benzenepropanoic acid,3-bromo-b-oxo-, ethyl ester, AK135148, 3-(3-Bromophenyl)-3-oxo-propionic acid ethylester, 3-(3-Bromo-phenyl)-3-oxo-propionic acid ethylester, 3-(3-Bromophenyl)-3-oxo-propionic acid ethyl ester, A1-00190, Benzenepropanoic acid, 3-bromo-3-oxo-, ethyl ester, 3-(3-Bromo-phenyl)-3-oxo-propionic, ACMC-1CG4D, SCHEMBL290760, AC1L454E, Benzenepropanoic acid, 3-bromo-beta-oxo-, ethyl ester, CTK4E7173, KS-00001KJO, DTXSID00175924, JSVMCOQPWKQNGU-UHFFFAOYSA-N, ZINC2575911, ETHYL(3-BROMOBENZOYL)ACETATE, AB2832, Ethyl 3-bromo-3-oxobenzenepropionate, MFCD03424812, Ethyl (3-bromobenzoyl)acetate, 95%, AKOS009260133, CS-W022666, DS-4898, VZ25970, ACM21575917, AC-20669, AJ-42448, CC-12371, SY019933, Ethyl-3-(3-bromophenyl)-3-oxo propanoate, AX8000501, DB-006234, TC-166972, FT-0082131, FT-0601988, MFCD03424812 (95%), 3-Bromo-|A-oxo-benzenepropanoic acid ethyl ester, Benzenepropanoic acid,3-bromo-b-oxo-,ethyl ester, beta-Oxo-3-bromobenzenepropionic acid ethyl ester, C-17050, 3-(3-Bromophenyl)-3-oxopropanoic Acid Ethyl Ester, 3-(3-bromophenyl)-3-oxopropionic acid ethyl ester, J-014154, I14-49394, acid ethyl ester, C11H11BrO3, CID179368, ZINC02575911, ACN-053017, Benzenepropanoic acid, 3-bromo-.beta.-oxo-, ethyl ester,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.989g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	271.11g/mol
Monoisotopic Mass	269.989g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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

Lot Number