Benz[h]isoquinoline-6-carbonitrile

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Basic information

CAS: 82649-92-1
Standard SMILES: N#Cc1cc2ccncc2c2ccccc12
InChIKey: UNHQLJAGYYZXPH-UHFFFAOYSA-N
Molecular formula: C14H8N2
Average molar mass: 204.23 g/mol
Monoisotopic mass: 204.06874826

Names & identifiers

Preferred name: Benz[h]isoquinoline-6-carbonitrile
IUPAC: benzo[h]isoquinoline-6-carbonitrile

Names & synonyms

Benz[h]isoquinoline-6-carbonitrileBenzo[h]isoquinoline-6-carbonitrile82649-92-1MLS002920752NSC631607NSC148461CHEMBL1974053SCHEMBL13659546DTXSID70302083NSC-148461NSC-631607SMR001798338

Database identifiers

CAS: 82649-92-1
PubChem CID: 288047
DTXSID: DTXSID70302083
ChEMBL: CHEMBL1974053

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 36.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 303

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Compound notes

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