4-(3-Fluorophenyl)benzonitrile
Completing data — refresh the page later to see the latest
Basic information
- CAS
893734-52-6- Standard SMILES
N#Cc1ccc(-c2cccc(F)c2)cc1- InChIKey
UYVGIYZVAXQZQD-UHFFFAOYSA-N- Molecular formula
- C13H8FN
- Average molar mass
- 197.21 g/mol
- Monoisotopic mass
- 197.06407742
Names & identifiers
- Preferred name
- 4-(3-Fluorophenyl)benzonitrile
- IUPAC
- 4-(3-fluorophenyl)benzonitrile
- English name
- 3'-FLUORO[1,1'-BIPHENYL]-4-CARBONITRILE
- Molecular formula
- C13H8FN
- Molecular weight
- 197.21
Names & synonyms
4-(3-fluorophenyl)benzonitrile893734-52-63'-Fluoro[1,1'-biphenyl]-4-carbonitrileMFCD05981077SCHEMBL3840739SCHEMBL10435213SCHEMBL15821103DTXSID90362705AKOS004117562BS-23934F0394453'-FLUORO-[1,1'-BIPHENYL]-4-CARBONITRILE
Show more names
AKOS BAR-0679[1,1'-Biphenyl]-4-carbonitrile, 3'-fluoro-
Database identifiers
- CAS
893734-52-6- PubChem CID
- 1393752
- DTXSID
DTXSID90362705
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…