7-Fluorobenzo(a)pyrene
Basic information
- CAS
71511-38-1- Standard SMILES
Fc1cccc2c1cc1ccc3cccc4ccc2c1c34- InChIKey
QLWASAJNCFHPGV-UHFFFAOYSA-N- Molecular formula
- C20H11F
- Average molar mass
- 270.3 g/mol
- Monoisotopic mass
- 270.08447851
Names & identifiers
- Preferred name
- 7-Fluorobenzo(a)pyrene
- IUPAC
- 7-fluorobenzo[a]pyrene
- English name
- 7-fluorobenzo(a)pyrene
- Molecular formula
- C20H11F
- Molecular weight
- 270.3
Names & synonyms
7-fluorobenzo[a]pyrene7-Fluorobenzo(a)pyrene71511-38-1BENZO(a)PYRENE, 7-FLUORO-DTXSID40221752RefChem:106092DTXCID70144243BRN 2216469NSC6231367-fluorobenzo[pqr]tetrapheneCHEMBL1991981NSC-623136
Show more names
Benzo[a]pyrene, 7-fluoro-
NCI60_006900
Database identifiers
- CAS
71511-38-1- PubChem CID
- 51336
- DTXSID
DTXSID40221752- ChEMBL
CHEMBL1991981- Nikkaji
- J87.910J
Properties
Computed structural properties
- XLogP
- 6.4
- 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
- 170 °C · 170 °C
- Boiling point
- 470.4 · 470.4±14.0 °C(Predicted)
- Density
- 1.349 · 1.349±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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