2-Hydroxy-3-(trifluoromethyl)phenylisocyanate
Basic information
- CAS
1261776-60-6- Standard SMILES
O=C=Nc1cccc(C(F)(F)F)c1O- InChIKey
CWWSWCFXWZBWJX-UHFFFAOYSA-N- Molecular formula
- C8H4F3NO2
- Average molar mass
- 203.12 g/mol
- Monoisotopic mass
- 203.01941286
Names & identifiers
- Preferred name
- 2-Hydroxy-3-(trifluoromethyl)phenylisocyanate
- IUPAC
- 2-isocyanato-6-(trifluoromethyl)phenol
- English name
- 2-hydroxy-3-(trifluoromethyl)phenylisocyanate
- Molecular formula
- C8H4F3NO2
- Molecular weight
- 203.12
Names & synonyms
2-Hydroxy-3-(trifluoromethyl)phenylisocyanate1261776-60-6C90860Phenol, 2-isocyanato-6-(trifluoromethyl)-
Database identifiers
- CAS
1261776-60-6- PubChem CID
- 129960885
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 205.4 · 205.4±40.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 6.67 · 6.67±0.50(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…