COc1ccc(I)cc1Br
SMILES: COc1ccc(I)cc1Br

Molecular Processing

Molecular formula
C7H6BrIO
Molecular weight
312.93
Exact mass
311.8647
XLogP
3.06
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
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
0.143
Molar refractivity
53.41

Supplementary Information

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