10,12-Dichloro-3,7-bis(trichloromethyl)-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
Basic information
- CAS
91757-69-6- Standard SMILES
ClC1=CC(Cl)=C2N=C(C(Cl)(Cl)Cl)N=C3N=C(C(Cl)(Cl)Cl)N=C1N32- InChIKey
SWKMYLOACUQJBQ-UHFFFAOYSA-N- Molecular formula
- C10HCl8N5
- Average molar mass
- 474.8 g/mol
- Monoisotopic mass
- 470.774017
Names & identifiers
- Preferred name
- 10,12-Dichloro-3,7-bis(trichloromethyl)-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
- IUPAC
- 10,12-dichloro-3,7-bis(trichloromethyl)-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
Names & synonyms
NSC36622991757-69-6DTXSID00320917NSC-3662297,9-Dichloro-2,5-bis(trichloromethyl)-1,3,4,6,9b-pentaazaphenalene
Database identifiers
- CAS
91757-69-6- PubChem CID
- 339491
- DTXSID
DTXSID00320917
Properties
Computed structural properties
- XLogP
- 5.8
- 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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