Name: 2-fluoro-4-(trifluoromethyl)benzoyl isocyanate
SMILES:
O=C=NC(=O)c1ccc(C(F)(F)F)cc1FMolecular Processing
Molecular formula
C9H3F4NO2
Molecular weight
233.12
Exact mass
233.01
XLogP
2.32
TPSA
46.5
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
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
43.85
Supplementary Information
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