SMILES:
Clc1cc2c(cc1CBr)OCO2Molecular Processing
Molecular formula
C8H6BrClO2
Molecular weight
249.49
Exact mass
247.924
XLogP
2.96
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
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
0.25
Molar refractivity
50.21
Supplementary Information
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