Basic information
- CAS
71171-93-2- Standard SMILES
Fc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45- InChIKey
VKRYSASHEJWBIM-UHFFFAOYSA-N- Molecular formula
- C20H11F
- Average molar mass
- 270.3 g/mol
- Monoisotopic mass
- 270.08447851
Names & identifiers
- Preferred name
- 9-Fluorobenzo(a)pyrene
- IUPAC
- 9-fluorobenzo[a]pyrene
- English name
- 9-fluorobenzo(a)pyrene
- Molecular formula
- C20H11F
- Molecular weight
- 270.3
Names & synonyms
9-fluorobenzo[a]pyrene9-Fluorobenzo(a)pyrene71171-93-2BENZO(a)PYRENE, 9-FLUORO-DTXSID80221357RefChem:107902DTXCID80143848BRN 19803119-Fluorobenzo[pqr]tetrapheneBenzo[a]pyrene, 9-fluoro-
Database identifiers
- CAS
71171-93-2- PubChem CID
- 51255
- DTXSID
DTXSID80221357- Nikkaji
- J87.912F
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 148 °C · 148 °C
- Boiling point
- 470.4 · 470.4±14.0 °C(Predicted)
- Density
- 1.349 · 1.349±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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