3-Chloro-4,5,6-trifluorobenzene-1,2-dicarbonitrile
Basic information
- CAS
402942-82-9- Standard SMILES
N#Cc1c(F)c(F)c(F)c(Cl)c1C#N- InChIKey
BMZDKPHJLPMINH-UHFFFAOYSA-N- Molecular formula
- C8ClF3N2
- Average molar mass
- 216.55 g/mol
- Monoisotopic mass
- 215.9702102
Names & identifiers
- Preferred name
- 3-Chloro-4,5,6-trifluorobenzene-1,2-dicarbonitrile
- IUPAC
- 3-chloro-4,5,6-trifluorobenzene-1,2-dicarbonitrile
Names & synonyms
3-Chloro-4,5,6-trifluorobenzene-1,2-dicarbonitrile402942-82-9SCHEMBL5673651DTXSID60619778
Database identifiers
- CAS
402942-82-9- PubChem CID
- 21902151
- DTXSID
DTXSID60619778
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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