Name: 4-isopropoxy-3-(trifluoromethyl)benzoic acid
SMILES:
CC(C)Oc1ccc(C(=O)O)cc1C(F)(F)FMolecular Processing
Molecular formula
C11H11F3O3
Molecular weight
248.2
Exact mass
248.066
XLogP
3.19
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
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
0.364
Molar refractivity
54.17
Supplementary Information
Details werden geladen…
An 18 Reaktionen beteiligt→