COC(=O)C(C)(CC(=O)CBr)OC
名称: methyl 5-bromo-2-methoxy-2-methyl-4-oxopentanoate
SMILES: COC(=O)C(C)(CC(=O)CBr)OC

Molecular Processing

Molecular formula
C8H13BrO4
Molecular weight
253.09
Exact mass
251.9997
XLogP
0.92
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
13
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
50.85

Supplementary Information

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