Basic information
- CAS
82501-05-1- Standard SMILES
N#CC1=CN=C2C=CC=C3N=C(C(Cl)(Cl)Cl)N=C1N32- InChIKey
MOHZQCNWWKCUKT-UHFFFAOYSA-N- Molecular formula
- C11H4Cl3N5
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 310.953228
Names & identifiers
- Preferred name
- 3-(Trichloromethyl)-2,4,8,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-6-carbonitrile
- IUPAC
- 3-(trichloromethyl)-2,4,8,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-6-carbonitrile
Names & synonyms
NSC36622882501-05-1DTXSID40320916NSC-3662282-(Trichloromethyl)-1,3,6,9b-tetraazaphenalene-4-carbonitrile
Database identifiers
- CAS
82501-05-1- PubChem CID
- 339490
- DTXSID
DTXSID40320916
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 694
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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