O=C=Nc1ccc(Cl)cc1C(F)(F)F
名称: 4-chloro-2-(trifluoromethyl)phenyl isocyanate
SMILES: O=C=Nc1ccc(Cl)cc1C(F)(F)F

Molecular Processing

Molecular formula
C8H3ClF3NO
Molecular weight
221.56
Exact mass
220.9855
XLogP
3.33
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
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
0.125
Molar refractivity
44.24

Supplementary Information

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