Name: 3-chloro-4-methoxy-5-trifluoromethylbenzoic acid
SMILES:
COc1c(Cl)cc(C(=O)O)cc1C(F)(F)FMolecular Processing
Molecular formula
C9H6ClF3O3
Molecular weight
254.59
Exact mass
253.9958
XLogP
3.07
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
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
0.222
Molar refractivity
49.97
Supplementary Information
Details werden geladen…
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