CCOC(=O)c1cc(F)c(F)c(OC(F)F)c1F
Name: ethyl 3-difluoromethoxy-2,4,5-trifluorobenzoate
SMILES: CCOC(=O)c1cc(F)c(F)c(OC(F)F)c1F

Molecular Processing

Molecular formula
C10H7F5O3
Molecular weight
270.15
Exact mass
270.0315
XLogP
2.88
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
48.9

Supplementary Information

Details werden geladen…

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