Cc1cc(Cl)c(Br)c[n+]1[O-]
Name: 4-chloro-5-bromo-2-picoline-N-oxide
SMILES: Cc1cc(Cl)c(Br)c[n+]1[O-]

Molecular Processing

Molecular formula
C6H5BrClNO
Molecular weight
222.47
Exact mass
220.9243
XLogP
2.04
TPSA
26.94
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
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
0.167
Molar refractivity
42.85

Supplementary Information

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