Clc1cc(CBr)cc(Cl)c1OCc1ccccc1
Name: 2-benzyloxy-5-bromomethyl-1,3-dichloro-benzene
SMILES: Clc1cc(CBr)cc(Cl)c1OCc1ccccc1

Molecular Processing

Molecular formula
C14H11BrCl2O
Molecular weight
346.05
Exact mass
343.937
XLogP
5.47
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
79.87

Supplementary Information

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