C1=CC(=CC=C1N=C=O)OC(F)(F)F
CAS: 35037-73-1
Name: 1-isocyanato-4-(trifluoromethoxy)benzene
SMILES: C1=CC(=CC=C1N=C=O)OC(F)(F)F

Molecular Processing

Molecular formula
C8H4F3NO2
Molecular weight
203.12
Exact mass
203.0194
XLogP
2.55
TPSA
38.66
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
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
40.91

Supplementary Information

InChIKey: LGPKFIGMLPDYEA-UHFFFAOYSA-N
Synonyms
4-(Trifluoromethoxy)phenyl isocyanate35037-73-1Benzene, 1-isocyanato-4-(trifluoromethoxy)-p-(Trifluoromethoxy)phenyl isocyanateEINECS 252-328-0DTXSID1067883EC 252-328-0RefChem:857961DTXCID3038933252-328-01-Isocyanato-4-(trifluoromethoxy)benzene4-trifluoromethoxyphenylisocyanate1-Isocyanato-4-trifluoromethoxy-benzene4-(Trifluoromethoxy)phenylisocyanateMFCD00035702Isocyanic Acid 4-(Trifluoromethoxy)phenyl Ester4-(trifluoromethoxy)benzenisocyanateSCHEMBL180952p-trifluoromethoxyphenyl isocyanate4-trifluoromethoxy-phenylisocyanate4-trifluoromethoxyphenyl isocyanate4-trifluoromethoxy-phenyl isocyanateSBB0632451-isocyanato-4-trifluoromethoxybenzene4-(trifluoromethoxy)-phenyl isocyanateAKOS005063774p-(trifluoromethoxy)-phenyl isocyanateAC-9801FT003991-Isocyanato-4-(trifluoromethoxy)-benzene
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