Basic information
- Standard SMILES
Cc1c(N=C=O)ccc(C#N)c1C(F)(F)F- InChIKey
KOXRHIZBBLJYTF-UHFFFAOYSA-N- Molecular formula
- C10H5F3N2O
- Average molar mass
- 226.15 g/mol
Names & identifiers
- Preferred name
- 4-Cyano-2-methyl-3-trifluoromethylphenyl isocyanate
- IUPAC
- 4-isocyanato-3-methyl-2-(trifluoromethyl)benzonitrile
Names & synonyms
4-cyano-2-methyl-3-trifluoromethylphenyl isocyanateSCHEMBL19687274-Isocyanato-3-methyl-2-trifluoromethylbenzonitrile
Database identifiers
- PubChem CID
- 59754272
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 351
Related reactions
5 records
Compound notes
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