O=C(Cl)Cc1ccccc1CBr
SMILES: O=C(Cl)Cc1ccccc1CBr

Molecular Processing

Molecular formula
C9H8BrClO
Molecular weight
247.52
Exact mass
245.9447
XLogP
2.89
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
53.64

Supplementary Information

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