Basic information
- CAS
64977-45-3- Standard SMILES
Cc1cc2ccccc2c2ccc3ccc(F)cc3c12- InChIKey
WYWINKYOWCBNEB-UHFFFAOYSA-N- Molecular formula
- C19H13F
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.10012858
Names & identifiers
- Preferred name
- 3-Fluoro-5-methylchrysene
- IUPAC
- 3-fluoro-5-methylchrysene
- English name
- 3-Fluoro-5-methylchrysene
- Molecular formula
- C19H13F
- Molecular weight
- 260.3
Names & synonyms
3-Fluoro-5-methylchryseneCHRYSENE, 3-FLUORO-5-METHYL-64977-45-3BRN 2531863DTXSID10215300
Database identifiers
- CAS
64977-45-3- PubChem CID
- 47503
- DTXSID
DTXSID10215300- Nikkaji
- J69.534C
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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