COc1cc(C(=O)C(C)Br)cc(OC)c1Br
Name: 2-bromo-1-(4-bromo-3,5-dimethoxyphenyl)propan-1-one
SMILES: COc1cc(C(=O)C(C)Br)cc(OC)c1Br

Molecular Processing

Molecular formula
C11H12Br2O3
Molecular weight
352.02
Exact mass
349.9153
XLogP
3.43
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
69.97

Supplementary Information

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