Benz[a]anthracene, 7-cyano-
Basic information
- CAS
7476-08-6- Standard SMILES
N#Cc1c2ccccc2cc2c1ccc1ccccc12- InChIKey
XIOJYHPTSOMRDI-UHFFFAOYSA-N- Molecular formula
- C19H11N
- Average molar mass
- 253.3 g/mol
- Monoisotopic mass
- 253.08914936
Names & identifiers
- Preferred name
- Benz[a]anthracene, 7-cyano-
- IUPAC
- benzo[a]anthracene-7-carbonitrile
- English name
- Benz[a]anthracene-7-carbonitrile
- Molecular weight
- 0
Names & synonyms
Benz(a)anthracene, 7-cyano-7-Cyanobenz(a)anthraceneBenz[a]anthracene, 7-cyano-7476-08-652XEP5C3SJNSC 400555NSC-400555BRN 3318100DTXSID502257414-09-00-02746 (Beilstein Handbook Reference)RefChem:117066DTXCID80148232
Show more names
XIOJYHPTSOMRDI-UHFFFAOYSA-N10-Cyano-1,2-benzanthraceneBenz(a)anthracene-7-carbonitrileBenz[a]anthracene-7-carbonitriletetraphene-7-carbonitrileNSC400555UNII-52XEP5C3SJ10-Cyano-1,2-benzanthracen
Database identifiers
- CAS
7476-08-6- PubChem CID
- 81992
- DTXSID
DTXSID50225741- UNII
- 52XEP5C3SJ
- Nikkaji
- J35.522D
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 405
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Boiling point
- 386.5 °C · 386.5°C (rough estimate)
- Density
- 0.951 · 0.9510 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- FDA UNII
- 52 XEP5C3SJ · 52XEP5C3SJ
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Compound notes
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