Basic information
- CAS
61735-77-1- Standard SMILES
Fc1ccc2c(c1)cc1ccc3cc4ccccc4c4ccc2c1c34- InChIKey
RFZRVBKLYCYBKA-UHFFFAOYSA-N- Molecular formula
- C24H13F
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.10012858
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-Fluorobenzo(a,i)pyrene
- IUPAC
- 5-fluorohexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,8,10,12,14,16,18,20(24),21-dodecaene
- English name
- 3-fluorobenzo(a,i)pyrene
- Molecular formula
- C24H13F
- Molecular weight
- 320.36
Names & synonyms
3-Fluorobenzo(a,i)pyrene3-Fluorobenzo(rst)pentaphene61735-77-13-Fluorobenzo[rst]pentapheneBENZO(rst)PENTAPHENE, 3-FLUORO-Benzo[rst]pentaphene, 3-fluoro-DTXSID70210735RefChem:93948DTXCID00133226BRN 1995992TTM8HG3CNF3-Fluorodibenzo[a,i]pyrene
Show more names
3-fluorodibenzo[ a,i]pyreneFluorodibenzo[a,i]pyrene, 3-5-fluorohexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,8,10,12,14,16,18,20(24),21-dodecaene
Database identifiers
- CAS
61735-77-1- PubChem CID
- 43770
- DTXSID
DTXSID70210735- UNII
- TTM8HG3CNF
- Nikkaji
- J87.878B
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 514
Physicochemical properties
- Boiling point
- 295.93 °C · 295.93°C (rough estimate)
- Density
- 1.0597 · 1.0597 (rough estimate)
- refractive index
- 1.711 · 1.7110 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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