Name: 2-cyclopropyl-4,6-bis-trifluoromethyl-benzoic acid
SMILES:
O=C(O)c1c(C2CC2)cc(C(F)(F)F)cc1C(F)(F)FMolecular Processing
Molecular formula
C12H8F6O2
Molecular weight
298.18
Exact mass
298.0428
XLogP
4.3
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
55.38
Supplementary Information
Details werden geladen…
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