1-Fluoro-5-methylchrysene
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Basic information
- CAS
64977-44-2- Standard SMILES
Cc1cc2ccccc2c2ccc3c(F)cccc3c12- InChIKey
XEMHABFHBIXNKT-UHFFFAOYSA-N- Molecular formula
- C19H13F
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.10012858
Names & identifiers
- Preferred name
- 1-Fluoro-5-methylchrysene
- IUPAC
- 1-fluoro-5-methylchrysene
- English name
- 1-Fluoro-5-methylchrysene
- Molecular formula
- C19H13F
- Molecular weight
- 260.3
Names & synonyms
1-Fluoro-5-methylchrysene64977-44-2CHRYSENE, 1-FLUORO-5-METHYL-6GF5KMV2PYBRN 2531979UNII-6GF5KMV2PYDTXSID602152995-METHYL-1-FLUOROCHRYSENEFLUORO-5-METHYLCHRYSENE, 1-
Database identifiers
- CAS
64977-44-2- PubChem CID
- 47502
- DTXSID
DTXSID60215299- UNII
- 6GF5KMV2PY
- Nikkaji
- J69.533E
Properties
Computed structural propertiesFilling in
- 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
- 6 GF5KMV2PY · 6GF5KMV2PY
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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