SMILES:
COC(=O)c1cc(Br)c(C)cc1BrMolecular Processing
Molecular formula
C9H8Br2O2
Molecular weight
307.97
Exact mass
305.8891
XLogP
3.31
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
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
0.222
Molar refractivity
57.92
Supplementary Information
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