7-Methylbenz(a)anthracene-10-carbonitrile
Basic information
- CAS
6366-23-0- Standard SMILES
Cc1c2ccc(C#N)cc2cc2c1ccc1ccccc12- InChIKey
BYWGQAGELPWCLZ-UHFFFAOYSA-N- Molecular formula
- C20H13N
- Average molar mass
- 267.3 g/mol
- Monoisotopic mass
- 267.10479942
Names & identifiers
- Preferred name
- 7-Methylbenz(a)anthracene-10-carbonitrile
- IUPAC
- 7-methylbenzo[a]anthracene-10-carbonitrile
- English name
- 7-Methylbenz[a]anthracene-10-carbonitrile
- Molecular formula
- C20H13N
- Molecular weight
- 267.32
Names & synonyms
6366-23-07-methyltetraphene-10-carbonitrileBRN 25874157-Methylbenz(a)anthracene-10-carbonitrile7-Cyano-10-methyl-1,2-benzanthraceneBenz(a)anthracene-10-carbonitrile, 7-methyl-DTXSID209798853-09-00-03628 (Beilstein Handbook Reference)7-Methylbenz[a]anthracene-10-carbonitrileBenz[a]anthracene-10-carbonitrile, 7-methyl-
Database identifiers
- CAS
6366-23-0- PubChem CID
- 80725
- DTXSID
DTXSID20979885- Nikkaji
- J35.517H
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
- 400.51 °C · 400.51°C (rough estimate)
- Density
- 0.9889 · 0.9889 (rough estimate)
- refractive index
- 1.861 · 1.8610 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…