12-Fluoro-5-methylchrysene
Basic information
- CAS
61413-38-5- Standard SMILES
Cc1cc2ccccc2c2cc(F)c3ccccc3c12- InChIKey
PKWOZBMMJBJRKD-UHFFFAOYSA-N- Molecular formula
- C19H13F
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.10012858
Overview
less carcinogenic than 5-methylchrysene
Names & identifiers
- Preferred name
- 12-Fluoro-5-methylchrysene
- IUPAC
- 12-fluoro-5-methylchrysene
- English name
- 12-fluoro-5-methylchrysene
- Molecular formula
- C19H13F
- Molecular weight
- 260.3
Names & synonyms
12-Fluoro-5-methylchrysene61413-38-5DTXSID60210345RefChem:78194DTXCID60132836BRN 2532022CHRYSENE, 12-FLUORO-5-METHYL-DB-291308
Database identifiers
- CAS
61413-38-5- PubChem CID
- 43636
- DTXSID
DTXSID60210345- Nikkaji
- J69.539D
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)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…