O=C(O)/C=C/CBr
Name: 4-bromo crotonic acid
SMILES: O=C(O)/C=C/CBr

Molecular Processing

Molecular formula
C4H5BrO2
Molecular weight
164.99
Exact mass
163.9473
XLogP
1.02
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
7
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
0.25
Molar refractivity
30.57

Supplementary Information

No supplementary data available

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