Basic information
- CAS
63732-17-2- Standard SMILES
O=[N+]([O-])C(Cl)CCCF- InChIKey
SOHRFVDFMDQUNT-UHFFFAOYSA-N- Molecular formula
- C4H7ClFNO2
- Average molar mass
- 155.55 g/mol
- Monoisotopic mass
- 155.0149343
Names & identifiers
- Preferred name
- 1-Chloro-4-fluoro-1-nitrobutane
- IUPAC
- 1-chloro-4-fluoro-1-nitrobutane
- English name
- 1-Chloro-4-fluoro-1-nitrobutane
- Molecular formula
- C4H7ClFNO2
- Molecular weight
- 155.56
Names & synonyms
1-Chloro-4-fluoro-1-nitrobutane63732-17-2DTXSID80980199RefChem:1055260DTXCID8014074774-Fluoro-1-nitrobutane chlorideBUTANE, 1-CHLORO-4-FLUORO-1-NITRO-DB-301369
Database identifiers
- CAS
63732-17-2- PubChem CID
- 44651
- DTXSID
DTXSID80980199- Nikkaji
- J64.613J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 95.1
Physicochemical properties
- Boiling point
- 194.5 · 194.5±25.0 °C(Predicted)
- Density
- 1.248 · 1.248±0.06 g/cm3(Predicted)
- pka
- 3 · 3+-.0.36(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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