9-Fluoro-5-methylchrysene
Basic information
- CAS
64977-48-6- Standard SMILES
Cc1cc2ccc(F)cc2c2ccc3ccccc3c12- InChIKey
AMIHJYBUKVNSFM-UHFFFAOYSA-N- Molecular formula
- C19H13F
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.10012858
Names & identifiers
- Preferred name
- 9-Fluoro-5-methylchrysene
- IUPAC
- 3-fluoro-11-methylchrysene
- English name
- 9-Fluoro-5-methylchrysene
- Molecular formula
- C19H13F
- Molecular weight
- 260.3
Names & synonyms
9-Fluoro-5-methylchrysene3-fluoro-11-methylchrysene64977-48-6CHRYSENE, 9-FLUORO-5-METHYL-DVF65LG2EFBRN 2530698Chrysene, 3-fluoro-11-methyl-UNII-DVF65LG2EFDTXSID902153035-METHYL-9-FLUOROCHRYSENEFLUORO-5-METHYLCHRYSENE, 9-DB-186691
Show more names
9-Fluoro-5-methylchrysene in isooctane
Database identifiers
- CAS
64977-48-6- PubChem CID
- 47506
- DTXSID
DTXSID90215303- UNII
- DVF65LG2EF
- Nikkaji
- J69.537H
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)
- FDA UNII
- 65 LG2EF · DVF65LG2EF
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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