Basic information
- CAS
62248-95-7- Standard SMILES
C1=CC=CC=CN=1- InChIKey
JNQJJVRYTGYFSJ-UHFFFAOYSA-N- Molecular formula
- C6H5N
- Average molar mass
- 91.11 g/mol
- Monoisotopic mass
- 91.04219916
Names & identifiers
- Preferred name
- Azacyclohepta-1,2,4,6-tetraene
- IUPAC
- 1-azacyclohepta-2,4,6,7-tetraene
Names & synonyms
62248-95-7Azacyclohepta-1,2,4,6-tetraeneRefChem:320264dehydroazepineSCHEMBL2561081DTXSID40609778
Database identifiers
- CAS
62248-95-7- PubChem CID
- 20782815
- DTXSID
DTXSID40609778- Nikkaji
- J823.471J、J867.936C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 157
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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