Name: 2-methyl-4,6-bis-trifluoromethyl-benzoic acid
SMILES:
Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)OMolecular Processing
Molecular formula
C10H6F6O2
Molecular weight
272.14
Exact mass
272.0272
XLogP
3.73
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
48.14
Supplementary Information
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