Name: (S)-3-acetoxy-2-(o-trifluoromethylphenyl)propanol carbamate
SMILES:
CC(=O)OC[C@@H](COC(N)=O)c1ccccc1C(F)(F)FMolecular Processing
Molecular formula
C13H14F3NO4
Molecular weight
305.25
Exact mass
305.0875
XLogP
2.45
TPSA
78.62
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
66.35
Supplementary Information
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