4'-Chloro-4-fluoro-3-nitrobenzophenone
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Basic information
- CAS
956474-49-0- Standard SMILES
O=C(c1ccc(Cl)cc1)c1ccc(F)c([N+](=O)[O-])c1- InChIKey
XHFITYZCCQFARP-UHFFFAOYSA-N- Molecular formula
- C13H7ClFNO3
- Average molar mass
- 279.65 g/mol
- Monoisotopic mass
- 279.0098489
Names & identifiers
- Preferred name
- 4'-Chloro-4-fluoro-3-nitrobenzophenone
- IUPAC
- (4-chlorophenyl)-(4-fluoro-3-nitrophenyl)methanone
- English name
- 4'-CHLORO-4-FLUORO-3-NITROBENZOPHENONE
- Molecular formula
- C13H7ClFNO3
- Molecular weight
- 279.65
Names & synonyms
4'-Chloro-4-fluoro-3-nitrobenzophenone956474-49-0(4-Chlorophenyl)(4-fluoro-3-nitrophenyl)methanoneSCHEMBL332714SB403043-NITRO-4'-CHLORO-4-FLUOROBENZOPHENONE(4-chlorophenyl)-(4-fluoro-3-nitrophenyl)methanoneMethanone, (4-chlorophenyl)(4-fluoro-3-nitrophenyl)-
Database identifiers
- CAS
956474-49-0- PubChem CID
- 44887028
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Boiling point
- 429.1 · 429.1±45.0 °C(Predicted)
- Density
- 1.43 · 1.430±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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