O=[N+]([O-])C=Cc1ccc(OC(F)(F)F)cc1
Name: 4-trifluoromethoxy-(2-nitro-vinyl)-benzene
SMILES: O=[N+]([O-])C=Cc1ccc(OC(F)(F)F)cc1

Molecular Processing

Molecular formula
C9H6F3NO3
Molecular weight
233.14
Exact mass
233.03
XLogP
2.83
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
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
0.111
Molar refractivity
49.15

Supplementary Information

Details werden geladen…

An 8 Reaktionen beteiligt