Name: 2-chloro-6-fluoro-3,5-dimethoxybenzoic acid
SMILES:
COc1cc(OC)c(Cl)c(C(=O)O)c1FMolecular Processing
Molecular formula
C9H8ClFO4
Molecular weight
234.61
Exact mass
234.0095
XLogP
2.19
TPSA
55.76
H-bond donors
1
H-bond acceptors
3
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
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
51.47
Supplementary Information
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