Name: 4-acetoxybutyl bromide
SMILES:
CC(=O)OCCCCBrMolecular Processing
Molecular formula
C6H11BrO2
Molecular weight
195.06
Exact mass
193.9942
XLogP
1.72
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
39.66
Supplementary Information
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