AG002TID

26510-95-2 | Ethyl 3-(4-bromophenyl)-3-oxo-propionate

AG002TID

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CAS Number	26510-95-2
Catalog Number	AG002TID(AGN-PC-0KKLK3)
Chemical Name	Ethyl 3-(4-bromophenyl)-3-oxo-propionate
IUPAC Name	ethyl 3-(4-bromophenyl)-3-oxopropanoate
InChI	InChI=1S/C11H11BrO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
InChI Key	PBDYXCKRDRCJDC-UHFFFAOYSA-N
MDL Number	MFCD00231243
Molecular Formula	C11H11BrO3
Molecular Weight	271.1072
SMILES	CCOC(=O)CC(=O)c1ccc(cc1)Br
Synonyms	26510-95-2, ethyl 3-(4-bromophenyl)-3-oxopropanoate, Ethyl (4-bromobenzoyl)acetate, Ethyl 3-(4-bromophenyl)-3-oxo-propionate, ethyl 4-bromobenzoylacetate, 3-(4-bromo-phenyl)-3-oxo-propionic acid ethyl ester, Benzenepropanoic acid, 4-bromo-beta-oxo-, ethyl ester, 3-(4-bromophenyl)-3-oxo-propionic acid ethyl ester, 3-(4-Bromophenyl)-3-oxo-propionic acid ethylester, ETHYL(4-BROMOBENZOYL)ACETATE, ETHYL (P-BROMOBENZOYL)ACETATE, AK-73052, Benzenepropanoic acid,4-bromo-b-oxo-, ethyl ester, 3-(4-Bromo-phenyl)-3-oxo-propionic acid ethylester, Ethyl (4-bromobenzoyl)acetate, 95%, PubChem22972, ACMC-1CLDT, AC1MBV77, SCHEMBL13634, CTK4F8037, PBDYXCKRDRCJDC-UHFFFAOYSA-N, ACT02844, KS-00000BN1, ZINC2559803, AB2833, ANW-45721, MFCD00231243, AKOS009259659, AS06133, CM13754, CS-W007561, VZ25995, ACM26510952, (4-Bromobenzoyl)acetic Acid Ethyl Ester, AC-29817, AJ-40375, BC004851, BR-73052, CC-12450, CJ-09489, Ethyl 3-(4-Bromophenyl)-3-oxopropionate, SC-13518, SY017251, AB0033463, AX8000502, DB-008238, Ethyl (4-bromobenzoyl)acetate, >=95.0%, TR-012017, E1117, FT-0638613, ST24033189, X7017, MFCD00231243 (95%), A22282, S-2469, 510B952, C-17051, ETHYL 3-(4-BROMOPHENYL)-3-OXO-PROPANOATE, 3-(4-Bromophenyl)-3-oxopropionic Acid Ethyl Ester, I01-7905, J-016455, 3-(4-BROMO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTE, C11H11BrO3, C11-H11-Br-O3, ZINC02559803, CID2757149, GS-3768, Ethyl (4-bromobenzoyl)acetate, 97% - 1G 1g,

Complexity	232
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

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