SMILES:
Oc1cc(Br)ccc1ClMolecular Processing
Molecular formula
C6H4BrClO
Molecular weight
207.45
Exact mass
205.9134
XLogP
2.81
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
9
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
Molar refractivity
40.82
Supplementary Information
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