1-(4-Azido-2,3,5,6-tetrafluorophenyl)ethanone
Basic information
- CAS
122590-76-5- Standard SMILES
CC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F- InChIKey
SVEVUAKQURHETO-UHFFFAOYSA-N- Molecular formula
- C8H3F4N3O
- Average molar mass
- 233.12 g/mol
- Monoisotopic mass
- 233.02122438
Names & identifiers
- Preferred name
- 1-(4-Azido-2,3,5,6-tetrafluorophenyl)ethanone
- IUPAC
- 1-(4-azido-2,3,5,6-tetrafluorophenyl)ethanone
Names & synonyms
1-(4-azido-2,3,5,6-tetrafluorophenyl)ethanone122590-76-51-(4-azido-2,3,5,6-tetrafluorophenyl)ethan-1-oneSCHEMBL13509276DTXSID401252460AH-034/113666151-(4-Azido-2,3,5,6-tetrafluoro-phenyl)-ethanone
Database identifiers
- CAS
122590-76-5- PubChem CID
- 9497652
- DTXSID
DTXSID401252460- Nikkaji
- J323.720F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 317
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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