SMILES:
O=C(O)C1(Br)CC1Molecular Processing
Molecular formula
C4H5BrO2
Molecular weight
164.99
Exact mass
163.9473
XLogP
1
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
7
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
28.53
Supplementary Information
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