Cn1cc(Br)cc(OC(F)F)c1=O
Name: 5-bromo-3-(difluoromethoxy)-1-methylpyridin-2-one
SMILES: Cn1cc(Br)cc(OC(F)F)c1=O

Molecular Processing

Molecular formula
C7H6BrF2NO2
Molecular weight
254.03
Exact mass
252.955
XLogP
1.75
TPSA
31.23
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
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
0.286
Molar refractivity
46.02

Supplementary Information

Details werden geladen…

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