AG000ZOV

13176-46-0 | Butanoic acid, 4-bromo-3-oxo-, ethyl ester

AG000ZOV

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CAS Number	13176-46-0
Catalog Number	AG000ZOV(AGN-PC-0JT5EA)
Chemical Name	Butanoic acid, 4-bromo-3-oxo-, ethyl ester
IUPAC Name	ethyl 4-bromo-3-oxobutanoate
InChI	InChI=1S/C6H9BrO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3
InChI Key	MGDWUTQKXCZNAJ-UHFFFAOYSA-N
MDL Number	MFCD07783015
Molecular Formula	C6H9BrO3
Molecular Weight	209.0379
SMILES	O=C(OCC)CC(=O)CBr
Synonyms	Ethyl 4-bromoacetoacetate, 13176-46-0, Ethyl 4-bromo-3-oxobutanoate, 4-Bromo-3-oxo-butyric acid ethyl ester, ethyl 4-bromo-3-oxobutyrate, Butanoic acid, 4-bromo-3-oxo-, ethyl ester, ethyl gamma-bromoacetoacetate, MGDWUTQKXCZNAJ-UHFFFAOYSA-N, ethyl-4-brom-3-oxobutanoat, ethyl bromoacetoacetate, AC1LB2PI, AC1Q5GSI, ethyl-4-bromoacetoacetate, AC1Q34NI, Ethyl4-Bromo-3-oxobutanoate, SCHEMBL97404, ethyl alpha-bromoacetylacetate, KSC174Q1R, Jsp001920, CTK0H4818, Ethyl 4-bromo-3-oxobutanoate #, DTXSID20341720, s244, 4-bromoacetoacetic acid ethyl ester, KS-00000BV3, ZINC3880822, AC-184, ANW-49495, MFCD07783015, SBB070780, AKOS005169867, 3-Oxo-4-bromobutyric acid ethyl ester, CS-W001152, GS-3300, MCULE-4119338402, RP26476, RTR-032645, TRA0025492, VZ36057, WT82409, 4-bromo-3-ketobutyric acid ethyl ester, AJ-46554, AK-25362, AM807438, BC202412, BR-25362, CJ-11064, SC-18967, SC-52677, SY031005, MFCD07783015 (Tech. 90%), AB0018536, AB1007127, DB-007491, ST2412994, TL8000756, TR-032645, 4CH-009521, FT-0080612, FT-0600488, 4-BROMO-3-OXO-BUTYRIC ACID ETHYLESTER, S-2277, 176E460, J-514755, S14-0894, null, Ethyl4-bromoacetoacetate, C6H9BrO3, AR-1J0589, CID575284, ACN-038174, 4-Bromo-3-oxobutanoic acid ethyl ester, 1320-37-2, 17790-81-7,

Complexity	133
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.974g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	209.039g/mol
Monoisotopic Mass	207.974g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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