Name: methyl 4-bromo-3-oxohexanoate
SMILES:
CCC(Br)C(=O)CC(=O)OCMolecular Processing
Molecular formula
C7H11BrO3
Molecular weight
223.07
Exact mass
221.9892
XLogP
1.29
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
11
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
0.714
Molar refractivity
44.65
Supplementary Information
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