Basic information
- CAS
63020-25-7- Standard SMILES
Cc1c2ccccc2c(C#N)c2ccc3ccccc3c12- InChIKey
GMZDCSKUCXWPPZ-UHFFFAOYSA-N- Molecular formula
- C20H13N
- Average molar mass
- 267.3 g/mol
- Monoisotopic mass
- 267.10479942
Names & identifiers
- Preferred name
- BENZ(a)ANTHRACENE, 7-CYANO-12-METHYL-
- IUPAC
- 12-methylbenzo[a]anthracene-7-carbonitrile
- English name
- 12-Methylbenz[a]anthracene-7-carbonitrile
- Molecular formula
- C20H13N
- Molecular weight
- 267.32
Names & synonyms
63020-25-77-Cyano-12-methylbenz(a)anthraceneBENZ(a)ANTHRACENE, 7-CYANO-12-METHYL-9-Methyl-10-cyano-1,2-benzanthracene12-Methylbenz(a)anthracene-7-carbonitrileL68XS4CEP712-Methylbenz[a]anthracene-7-carbonitrile12-methyltetraphene-7-carbonitrileUNII-L68XS4CEP7J73.182JDTXSID00212282DB-301292
Show more names
Benz[a]anthracene-7-carbonitrile, 12-methyl-
BENZ(A)ANTHRACENE-7-CARBONITRILE, 12-METHYL-Q27282763
Database identifiers
- CAS
63020-25-7- PubChem CID
- 44306
- DTXSID
DTXSID00212282- UNII
- L68XS4CEP7
- Nikkaji
- J73.182J
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Boiling point
- 401.5 °C · 401.5°C (rough estimate)
- Density
- 0.9838 · 0.9838 (rough estimate)
- refractive index
- 1.78 · 1.7800 (estimate)
- FDA UNII
- 68 XS4CEP7 · L68XS4CEP7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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