Basic information
- CAS
794-00-3- Standard SMILES
Cc1c2ccccc2c(C)c2c1cc(F)c1ccccc12- InChIKey
AXKHSIBLEVOWME-UHFFFAOYSA-N- Molecular formula
- C20H15F
- Average molar mass
- 274.3 g/mol
- Monoisotopic mass
- 274.11577864
Names & identifiers
- Preferred name
- 5-Fluoro-7,12-dimethylbenz[a]anthracene
- IUPAC
- 5-fluoro-7,12-dimethylbenzo[a]anthracene
- English name
- 7,12-Dimethyl-5-fluorobenz[a]anthracene
- Molecular weight
- 0
Names & synonyms
794-00-35-Fluoro-7,12-dimethylbenz[a]anthracene7,12-Dimethyl-5-Fluorobenz[a]Anthracene7,12-Dimethyl-5-fluorobenz(a)anthraceneBenz(a)anthracene, 7,12-dimethyl-5-fluoro-5-Fluoro-7,12-dimethylbenz(a)anthracene749LSG5VW9NSC-97731Benz(a)anthracene, 5-fluoro-7,12-dimethyl-NSC 97731BRN 2563809NSC97731
Show more names
Benz(A)anthracene, 5-fluoro-7,12-dimethyl- (8ci)(9ci)
5-FLUORO-7,12-DIMETHYLTETRAPHENEUNII-749LSG5VW94-05-00-02588 (Beilstein Handbook Reference)SCHEMBL3343089CHEMBL3244963DTXSID802296367,12-dimethyl-5-fluoro-benzanthraceneWLN: L D6 B666J C1 J1 MF
Database identifiers
- CAS
794-00-3- PubChem CID
- 69927
- DTXSID
DTXSID80229636- ChEMBL
CHEMBL3244963- UNII
- 749LSG5VW9
- Nikkaji
- J3.330H
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Boiling point
- 244.59 °C · 244.59°C (rough estimate)
- Density
- 1.0458 · 1.0458 (rough estimate)
- refractive index
- 1.711 · 1.7110 (estimate)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 749 LSG5VW9 · 749LSG5VW9
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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