4-((2,3,4,5,6-Pentafluorophenyl)methoxy)benzonitrile
Basic information
- CAS
87002-16-2- Standard SMILES
N#Cc1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1- InChIKey
MTRAEERMBVXYFJ-UHFFFAOYSA-N- Molecular formula
- C14H6F5NO
- Average molar mass
- 299.19 g/mol
- Monoisotopic mass
- 299.03695463
Names & identifiers
- Preferred name
- 4-((2,3,4,5,6-Pentafluorophenyl)methoxy)benzonitrile
- IUPAC
- 4-[(2,3,4,5,6-pentafluorophenyl)methoxy]benzonitrile
Names & synonyms
87002-16-24-((2,3,4,5,6-Pentafluorophenyl)methoxy)benzonitrileDTXSID0010072534-[(Pentafluorophenyl)methoxy]benzonitrileBenzonitrile, 4-((2,3,4,5,6-pentafluorophenyl)methoxy)-
Database identifiers
- CAS
87002-16-2- PubChem CID
- 186399
- DTXSID
DTXSID001007253
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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