SMILES:
COc1cc(Cl)c(CBr)c(Cl)c1Molecular Processing
Molecular formula
C8H7BrCl2O
Molecular weight
269.95
Exact mass
267.9057
XLogP
3.9
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
55.65
Supplementary Information
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