SMILES:
COc1cc(C=O)c(Br)c(Cl)c1OCMolecular Processing
Molecular formula
C9H8BrClO3
Molecular weight
279.52
Exact mass
277.9345
XLogP
2.93
TPSA
35.53
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
0.222
Molar refractivity
57.64
Supplementary Information
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Involved in 1 reactions→