名称: 3-methyl-2,4,5-trifluorobenzoic acid
SMILES:
Cc1c(F)c(F)cc(C(=O)O)c1FMolecular Processing
Molecular formula
C8H5F3O2
Molecular weight
190.12
Exact mass
190.0242
XLogP
2.11
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
38.01
Supplementary Information
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