Basic information
- CAS
64977-46-4- Standard SMILES
Cc1c(F)c2ccccc2c2ccc3ccccc3c12- InChIKey
QVIRRVBPWMIWKD-UHFFFAOYSA-N- Molecular formula
- C19H13F
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.10012858
Names & identifiers
- Preferred name
- 6-Fluoro-5-methylchrysene
- IUPAC
- 6-fluoro-5-methylchrysene
- English name
- 6-Fluoro-5-methylchrysene
- Molecular formula
- C19H13F
- Molecular weight
- 260.3
Names & synonyms
6-Fluoro-5-methylchrysene64977-46-4CHRYSENE, 6-FLUORO-5-METHYL-BRN 25320499P2ELA79PEFluoro-5-methylchrysene, 6-DTXSID702153016-Fluor-5-methylchrysen
Database identifiers
- CAS
64977-46-4- PubChem CID
- 47504
- DTXSID
DTXSID70215301- UNII
- 9P2ELA79PE
- Nikkaji
- J69.535A
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
- 20
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Boiling point
- 227.76 °C · 227.76°C (rough estimate)
- Density
- 1.0669 · 1.0669 (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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