O=C(NCC(F)F)c1cc(F)c(Cl)cc1F
名称: 4-chloro-N-(2,2-difluoroethyl)-2,5-difluorobenzamide
SMILES: O=C(NCC(F)F)c1cc(F)c(Cl)cc1F

Molecular Processing

Molecular formula
C9H6ClF4NO
Molecular weight
255.6
Exact mass
255.0074
XLogP
2.61
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
49.71

Supplementary Information

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