Benz(a)anthracene, 12-ethyl-
Basic information
- CAS
18868-66-1- Standard SMILES
CCc1c2ccccc2cc2ccc3ccccc3c12- InChIKey
ZZIFQBYIKWXEHJ-UHFFFAOYSA-N- Molecular formula
- C20H16
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12520051
Names & identifiers
- Preferred name
- Benz(a)anthracene, 12-ethyl-
- IUPAC
- 12-ethylbenzo[a]anthracene
- English name
- 12-Ethylbenz(a)anthracene
- Molecular weight
- 0
Names & synonyms
Benz(a)anthracene, 12-ethyl-18868-66-112-Ethylbenz(a)anthraceneCCRIS 153712-Ethylbenz[a]anthraceneBRN 3276372DTXSID901722403-05-00-02410 (Beilstein Handbook Reference)RefChem:321015DTXCID5094731ZZIFQBYIKWXEHJ-UHFFFAOYSA-N12-ethylbenzo[a]anthracene
Show more names
12-ETHYLTETRAPHENE
Database identifiers
- CAS
18868-66-1- PubChem CID
- 146465
- DTXSID
DTXSID90172240- Nikkaji
- J35.543G
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Melting point
- 107.9 °C · 107.9°C
- Boiling point
- 466.58 °C · 466.58°C (rough estimate)
- Density
- 1.084 · 1.0840 (estimate)
- refractive index
- 1.729 · 1.7290 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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