CC(C(=O)CC(=O)OC)Br
CAS: 105983-77-5
Name: methyl 4-bromo-3-oxopentanoate
SMILES: CC(C(=O)CC(=O)OC)Br

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
3
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
40.03

Supplementary Information

InChIKey: HCBQTGAZENNMLM-UHFFFAOYSA-N
Synonyms
METHYL 4-BROMO-3-OXOPENTANOATE105983-77-54-Bromo-3-oxo-pentanoic acid methyl esterMFCD00662514Methyl 4-bromo-3-oxo-pentanoate4-bromo-3-oxopentanoic acid methyl estermethyl 4-bromo-3-oxovalerateSCHEMBL821105methyl-4-bromo-3-oxopentanoateDTXSID00431178HCBQTGAZENNMLM-UHFFFAOYSA-NAKOS015917766SY009590CS-0008962F15137[rac]-4-bromo-3-oxo-pentanoic acid methyl ester[rac]4-bromo-3-oxo-pentanoic acid methyl esterF043455
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Involved in 62 reactions→

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