Basic information
- CAS
1214372-40-3- Standard SMILES
O=[N+]([O-])c1ccc(-c2ccccc2F)c(C(F)(F)F)c1- InChIKey
FNRXTMWTAWAYPG-UHFFFAOYSA-N- Molecular formula
- C13H7F4NO2
- Average molar mass
- 285.19 g/mol
- Monoisotopic mass
- 285.04129111
Names & identifiers
- Preferred name
- 1-(2-Fluorophenyl)-4-nitro-2-(trifluoromethyl)benzene
- IUPAC
- 1-(2-fluorophenyl)-4-nitro-2-(trifluoromethyl)benzene
Names & synonyms
1214372-40-3DTXSID6012245402'-Fluoro-4-nitro-2-(trifluoromethyl)-1,1'-biphenyl1,1'-Biphenyl, 2'-fluoro-4-nitro-2-(trifluoromethyl)-2a(2)-Fluoro-4-nitro-2-(trifluoromethyl)-1,1a(2)-biphenyl2 inverted exclamation marka-Fluoro-4-nitro-2-(trifluoromethyl)-1,1 inverted exclamation marka-biphenyl
Database identifiers
- CAS
1214372-40-3- PubChem CID
- 46314596
- DTXSID
DTXSID601224540
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…