이름: 4-chloro-2-methoxy-5-nitrobenzoic acid
SMILES:
COc1cc(Cl)c([N+](=O)[O-])cc1C(=O)OMolecular Processing
Molecular formula
C8H6ClNO5
Molecular weight
231.59
Exact mass
230.9934
XLogP
1.96
TPSA
89.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
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
51.62
Supplementary Information
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