Benz(a)anthracene, 4-fluoro-
Basic information
- CAS
388-72-7- Standard SMILES
Fc1cccc2c1ccc1cc3ccccc3cc12- InChIKey
NHEMFXZWMPLBQU-UHFFFAOYSA-N- Molecular formula
- C18H11F
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.08447851
Names & identifiers
- Preferred name
- Benz(a)anthracene, 4-fluoro-
- IUPAC
- 4-fluorobenzo[a]anthracene
- English name
- 4-Fluorobenz[a]anthracene
- Molecular formula
- C18H11F
- Molecular weight
- 246.28
Names & synonyms
Benz(a)anthracene, 4-fluoro-388-72-74-Fluorobenzanthracene4-Fluorobenz(a)anthracene4-fluorotetrapheneBRN 25604684'-Fluoro-1,2-benzanthracene4-05-00-02551 (Beilstein Handbook Reference)DTXSID101920664-Fluorobenz[a]anthraceneBenz[a]anthracene, 4-fluoro-
Database identifiers
- CAS
388-72-7- PubChem CID
- 67848
- DTXSID
DTXSID10192066- Nikkaji
- J35.546A
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Melting point
- 170 · 170-170.5 °C
- Boiling point
- 210.27 °C · 210.27°C (rough estimate)
- Density
- 1.0907 · 1.0907 (rough estimate)
- refractive index
- 1.749 · 1.7490 (estimate)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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