Basic information
- CAS
3123-27-1- Standard SMILES
N#Cc1c2ccccc2nc2c1ccc1ccccc12- InChIKey
QEKSMGPWTCRUMA-UHFFFAOYSA-N- Molecular formula
- C18H10N2
- Average molar mass
- 254.3 g/mol
- Monoisotopic mass
- 254.08439833
Names & identifiers
- Preferred name
- Benz(c)acridine-7-carbonitrile
- IUPAC
- benzo[c]acridine-7-carbonitrile
- English name
- Benz[c]acridine-7-carbonitrile
- Molecular formula
- C18H10N2
- Molecular weight
- 254.29
Names & synonyms
Benz(c)acridine-7-carbonitrile3123-27-17-Cyanobenz(c)acridinebenzo[c]acridine-7-carbonitrile7-Cyanobenzo(c)acridineBRN 04064355-22-03-00538 (Beilstein Handbook Reference)DTXSID40185148Benz[c]acridine-7-carbonitrile
Database identifiers
- CAS
3123-27-1- PubChem CID
- 76574
- DTXSID
DTXSID40185148- Nikkaji
- J35.254C
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Boiling point
- 387.5 °C · 387.5°C (rough estimate)
- Density
- 0.9835 · 0.9835 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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