CCOC(=O)CC(=O)CBr
CAS: 13176-46-0
Nombre: ethyl 4-bromo-3-oxobutanoate
SMILES: CCOC(=O)CC(=O)CBr

Molecular Processing

Molecular formula
C6H9BrO3
Molecular weight
209.04
Exact mass
207.9735
XLogP
0.9
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
40.05

Supplementary Information

InChIKey: MGDWUTQKXCZNAJ-UHFFFAOYSA-N
Sinónimos
Ethyl 4-bromo-3-oxobutanoateRefChem:595347806-757-0Ethyl 4-bromoacetoacetate13176-46-04-Bromo-3-oxo-butyric acid ethyl esterButanoic acid, 4-bromo-3-oxo-, ethyl esterMFCD07783015ethyl 4-bromo-3-oxobutyrateethyl gamma-bromoacetoacetateEthyl4-Bromo-3-oxobutanoateEthyl 4-bromo-3-oxo-butanoate4-bromoacetoacetic acid ethyl esterethyl bromoacetoacetateethyl-4-bromoacetoacetateSCHEMBL97404ethyl alpha-bromoacetylacetateEthyl 4-bromo-3-oxobutanoate #DTXSID203417204-bromo-acetoacetic acid ethyl esterAC-184SBB070780AKOS005169867CS-W001152FE32023GS-33004-bromo-3-ketobutyric acid ethyl esterSY031005DB-007491EN300-110505
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