Basic information
- CAS
63018-70-2- Standard SMILES
Cc1c2ccc3ccccc3c2cc2cccc(C#N)c12- InChIKey
OABWNVLQUOKXFA-UHFFFAOYSA-N- Molecular formula
- C20H13N
- Average molar mass
- 267.3 g/mol
- Monoisotopic mass
- 267.10479942
Names & identifiers
- Preferred name
- BENZ(a)ANTHRACENE-8-CARBONITRILE, 7-METHYL-
- IUPAC
- 7-methylbenzo[a]anthracene-8-carbonitrile
- English name
- 7-Methylbenz[a]anthracene-8-carbonitrile
- Molecular formula
- C20H13N
- Molecular weight
- 267.32
Names & synonyms
63018-70-25-Cyano-10-methyl-1,2-benzanthracene7-Methylbenz[a]anthracene-8-carbonitrileBENZ(a)ANTHRACENE-8-CARBONITRILE, 7-METHYL-Benz(a)anthracene, 8-cyano-7-methyl-7-Methylbenz(a)anthracene-8-carbonitrileBenz[a]anthracene-8-carbonitrile, 7-methyl-Benz[a]anthracene, 8-cyano-7-methyl-8-Cyano-7-methylbenz(a)anthraceneBRN 33257287-methyltetraphene-8-carbonitrileNSC168918
Show more names
3-09-00-03627 (Beilstein Handbook Reference)DTXSID102122538-Cyano-7-methylbenz[a]anthracineWLN: L D6 B666J HCN JNSC 168918NSC-168918DB-307394
Database identifiers
- CAS
63018-70-2- PubChem CID
- 44273
- DTXSID
DTXSID10212253- Nikkaji
- J73.179J
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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