2-Benzyloxy-6-fluorobenzonitrile
Basic information
- CAS
94088-45-6- Standard SMILES
N#Cc1c(F)cccc1OCc1ccccc1- InChIKey
ITKHCBLEEGSDOF-UHFFFAOYSA-N- Molecular formula
- C14H10FNO
- Average molar mass
- 227.23 g/mol
- Monoisotopic mass
- 227.07464211
Names & identifiers
- Preferred name
- 2-Benzyloxy-6-fluorobenzonitrile
- IUPAC
- 2-fluoro-6-phenylmethoxybenzonitrile
- English name
- 6-benzyloxy-2-fluorobenzonitrile
- Molecular formula
- C14H10FNO
- Molecular weight
- 227.23
Names & synonyms
2-Benzyloxy-6-fluorobenzonitrile94088-45-62-(benzyloxy)-6-fluorobenzonitrile6-Benzyloxy-2-fluorobenzonitrile2-fluoro-6-phenylmethoxybenzonitrileMFCD000682112-benzyloxy-6-fluoro-benzonitrileEINECS 302-045-42-Fluoro-6-(phenylmethoxy)benzonitrileSCHEMBL646003DTXSID102404702-benzyloxy-6-fluorobenzonitrile;
Show more names
2-Fluoro-6-benzyloxybenzonitrile
78V4Z852YQSBB097137AKOS015839404BH-0417SY278037Benzonitrile, 2-fluoro-6-(phenylmethoxy)-CS-0037386NS00064884
Database identifiers
- CAS
94088-45-6- PubChem CID
- 3023482
- DTXSID
DTXSID10240470- UNII
- 78V4Z852YQ
- EC Number
- 302-045-4
- Nikkaji
- J288.547F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Hazard Codes
- T,Xi
- HazardClass
- IRRITANT
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2926907090
- hazard_code
- T,Xi
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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