7,9-Dibromo-2,5-bis(tribromomethyl)-1,3,4,6,9b-pentaazaphenalene
Basic information
- CAS
88061-89-6- Standard SMILES
BrC1=CC(Br)=C2N=C(C(Br)(Br)Br)N=C3N=C(C(Br)(Br)Br)N=C1N32- InChIKey
BGFVCXHICOOZNT-UHFFFAOYSA-N- Molecular formula
- C10HBr8N5
- Average molar mass
- 830.4 g/mol
- Monoisotopic mass
- 822.3699
Names & identifiers
- Preferred name
- 7,9-Dibromo-2,5-bis(tribromomethyl)-1,3,4,6,9b-pentaazaphenalene
- IUPAC
- 10,12-dibromo-3,7-bis(tribromomethyl)-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
Names & synonyms
88061-89-6NSC366232SCHEMBL26914041DTXSID303209207,9-Dibromo-2,5-bis(tribromomethyl)-1,3,4,6,9b-pentaazaphenaleneNSC-366232
Database identifiers
- CAS
88061-89-6- PubChem CID
- 339494
- DTXSID
DTXSID30320920
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 717
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Compound notes
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