Basic information
- CAS
16354-55-5- Standard SMILES
CCc1c2ccccc2c(C)c2ccc3ccccc3c12- InChIKey
FTMBVQWARWOALX-UHFFFAOYSA-N- Molecular formula
- C21H18
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.14085057
Names & identifiers
- Preferred name
- Benz(a)anthracene, 12-ethyl-7-methyl-
- IUPAC
- 12-ethyl-7-methylbenzo[a]anthracene
- English name
- 7-METHYL-12-ETHYLBENZ(A)ANTHRACENE
- Molecular formula
- C21H18
- Molecular weight
- 270.37
Names & synonyms
Benz(a)anthracene, 12-ethyl-7-methyl-CCRIS 153616354-55-512-Ethyl-7-methylbenz(a)anthraceneBRN 30548307-Methyl-12-ethylbenz(a)anthracene7-Methyl-12-ethylbenz[a]anthraceneDTXSID701676143-05-00-02426 (Beilstein Handbook Reference)12-Ethyl-7-methylbenz[a]anthraceneRefChem:117056DTXCID7090105
Show more names
Benz[a]anthracene, 12-ethyl-7-methyl-
FTMBVQWARWOALX-UHFFFAOYSA-N12-ethyl-7-methylbenzo[a]anthracene12-ETHYL-7-METHYLTETRAPHENE
Database identifiers
- CAS
16354-55-5- PubChem CID
- 85377
- DTXSID
DTXSID70167614- Nikkaji
- J35.545C
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Boiling point
- 480.48 °C · 480.48°C (rough estimate)
- Density
- 1.0691 · 1.0691 (estimate)
- refractive index
- 1.712 · 1.7120 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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