SMILES:
COc1c(Br)cc(C(=O)Cl)cc1C=OMolecular Processing
Molecular formula
C9H6BrClO3
Molecular weight
277.5
Exact mass
275.9189
XLogP
2.65
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
56.27
Supplementary Information
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