SMILES:
O=Cc1c(Br)ccc2c1OCO2Molecular Processing
Molecular formula
C8H5BrO3
Molecular weight
229.03
Exact mass
227.9422
XLogP
1.99
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
45.65
Supplementary Information
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