O=[N+]([O-])c1ccc(F)cc1Cl
Name: 2-chloro-4-fluoro-1-nitrobenzene
SMILES: O=[N+]([O-])c1ccc(F)cc1Cl

Molecular Processing

Molecular formula
C6H3ClFNO2
Molecular weight
175.55
Exact mass
174.9836
XLogP
2.39
TPSA
43.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
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
Molar refractivity
38.06

Supplementary Information

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