Nom: 2-(3,5-difluoro-4-hydroxy-benzyl]-cyclopropane carboxylic acid ethyl ester
SMILES:
CCOC(=O)C1CC1Cc1cc(F)c(O)c(F)c1Molecular Processing
Molecular formula
C13H14F2O3
Molecular weight
256.25
Exact mass
256.0911
XLogP
2.41
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
59.96
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→