Basic information
- CAS
326-52-3- Standard SMILES
O=C(CCCCCCCCF)c1ccccc1- InChIKey
ITVSHYJKAJROEG-UHFFFAOYSA-N- Molecular formula
- C15H21FO
- Average molar mass
- 236.32 g/mol
- Monoisotopic mass
- 236.15764345
Names & identifiers
- Preferred name
- Nonanophenone, 9-fluoro-
- IUPAC
- 9-fluoro-1-phenylnonan-1-one
- English name
- (8-Fluorooctyl)phenyl ketone
- Molecular weight
- 0
Names & synonyms
9-FluorononanophenoneNONANOPHENONE, 9-FLUORO-8-Fluorooctyl phenyl ketone326-52-3BRN 3270858DTXSID001862924-07-00-00814 (Beilstein Handbook Reference)RefChem:365868DTXCID101087839-fluoro-1-phenylnonan-1-one(8-Fluorooctyl)phenyl ketone
Database identifiers
- CAS
326-52-3- PubChem CID
- 9472
- DTXSID
DTXSID00186292- Nikkaji
- J54.260A
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Density
- 0.9949 · 0.9949 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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