O=Cc1c(Cl)c(F)cc(C(=O)O)c1Cl
Name: 2,4-dichloro-5-fluoro-3-formylbenzoic acid
SMILES: O=Cc1c(Cl)c(F)cc(C(=O)O)c1Cl

Molecular Processing

Molecular formula
C8H3Cl2FO3
Molecular weight
237.01
Exact mass
235.9443
XLogP
2.64
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
48.77

Supplementary Information

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