AG003PZ2

50671-05-1 | Ethyl (2-bromobenzoyl)acetate

AG003PZ2

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CAS Number	50671-05-1
Catalog Number	AG003PZ2(AGN-PC-0S8S30)
Chemical Name	Ethyl (2-bromobenzoyl)acetate
IUPAC Name	ethyl 3-(2-bromophenyl)-3-oxopropanoate
InChI	InChI=1S/C11H11BrO3/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3
InChI Key	IFSMFGOJDWUHEW-UHFFFAOYSA-N
MDL Number	MFCD03424813
Molecular Formula	C11H11BrO3
Molecular Weight	271.1072
SMILES	O=C(OCC)CC(C1=CC=CC=C1Br)=O
Synonyms	50671-05-1, ethyl 3-(2-bromophenyl)-3-oxopropanoate, Ethyl (2-bromobenzoyl)acetate, 3-(2-bromo-phenyl)-3-oxo-propionic acid ethyl ester, 3-(2-Bromophenyl)-3-oxo-propionic acid ethylester, 3-(2-Bromo-phenyl)-3-oxo-propionic acid ethylester, ACMC-1APJ2, AC1MBV74, SCHEMBL290759, Benzenepropanoic acid, 2-bromo-beta-oxo-, ethyl ester, CTK4J2971, KS-00001KJR, DTXSID20373743, ZINC2575912, AB2831, MFCD03424813, AKOS009259818, AM87015, ACM50671051, Ethyl (2-bromobenzoyl)acetate, >=95%, AJ-42449, AK-41778, AS-44660, CC-12252, SC-25748, SY122672, AX8000500, DB-021584, TC-166979, FT-0639927, MFCD03424813 (95%), X-3491, C-17049, 3-(2-Bromophenyl)-3-oxo-propionic acid ethyl ester, 3-Oxo-3-(2-bromophenyl)propionic acid ethyl ester, I14-54278, 3-(2-BROMO-PHENYL)-3-OXO-PROPANOIC ACID ETHYL ESTER, ZINC02575912, CID2757148, 3- -3-OXO-PROPIONICACIDETHYLESTER, Benzenepropanoic acid, 2-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	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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