Benz(a)anthracene, 7,12-dimethyl-11-fluoro-
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Basic information
- CAS
2023-61-2- Standard SMILES
Cc1c2cccc(F)c2c(C)c2c1ccc1ccccc12- InChIKey
FKCRHSIFNGMCEP-UHFFFAOYSA-N- Molecular formula
- C20H15F
- Average molar mass
- 274.3 g/mol
- Monoisotopic mass
- 274.11577864
Names & identifiers
- Preferred name
- Benz(a)anthracene, 7,12-dimethyl-11-fluoro-
- IUPAC
- 11-fluoro-7,12-dimethylbenzo[a]anthracene
- English name
- 7,12-Dimethyl-11-fluorobenz[a]anthracene
- Molecular formula
- C20H15F
- Molecular weight
- 274.33
Names & synonyms
2023-61-2Benz(a)anthracene, 7,12-dimethyl-11-fluoro-7,12-Dimethyl-11-fluorobenz(a)anthracene11-Fluoro-7,12-dimethylbenz(a)anthraceneM6C4LWN2FT11-Fluoro-7,12-dimethylbenz[a]anthracene7,12-Dimethyl-11-fluorobenz[a]anthraceneNSC-97729Benz(a)anthracene, 11-fluoro-7,12-dimethyl-11-fluoro-7,12-dimethyltetrapheneCCRIS 1035NSC 97729
Show more names
Benz[a]anthracene, 11-fluoro-7,12-dimethyl-
BRN 2535755UNII-M6C4LWN2FTDTXSID70174080NSC97729WLN: AL D6 B666J C1 EF J1Benz[a]anthracene,12-dimethyl-11-fluoro-Dimethyl-11-fluorobenz(a)anthracene, 7,12-
Database identifiers
- CAS
2023-61-2- PubChem CID
- 74841
- DTXSID
DTXSID70174080- UNII
- M6C4LWN2FT
- Nikkaji
- J3.386C
Properties
Computed structural propertiesFilling in
- XLogP
- 5.9
- 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)
- FDA UNII
- 6 C4LWN2FT · M6C4LWN2FT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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