SMILES:
COC(=O)c1ccccc1-c1ccc(CBr)cc1Molecular Processing
Molecular formula
C15H13BrO2
Molecular weight
305.17
Exact mass
304.0099
XLogP
4.04
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
75.85
Supplementary Information
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