Name: 2-chloro-5-fluoro-4-methyl-3-nitrobenzoic acid
SMILES:
Cc1c(F)cc(C(=O)O)c(Cl)c1[N+](=O)[O-]Molecular Processing
Molecular formula
C8H5ClFNO4
Molecular weight
233.58
Exact mass
232.9891
XLogP
2.39
TPSA
80.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
49.76
Supplementary Information
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