Heptanal, 7-fluoro-
Basic information
- CAS
693-47-0- Standard SMILES
O=CCCCCCCF- InChIKey
ZKAOXODYSBGNRK-UHFFFAOYSA-N- Molecular formula
- C7H13FO
- Average molar mass
- 132.18 g/mol
- Monoisotopic mass
- 132.0950432
Names & identifiers
- Preferred name
- Heptanal, 7-fluoro-
- IUPAC
- 7-fluoroheptanal
Names & synonyms
7-FluoroheptanalHEPTANAL, 7-FLUORO-693-47-0DTXSID80219355RefChem:347204DTXCID00141846SCHEMBL6068254SCHEMBL6068258
Database identifiers
- CAS
693-47-0- PubChem CID
- 12740
- DTXSID
DTXSID80219355- Nikkaji
- J49.276K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 63.9
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Compound notes
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