Basic information
- CAS
7589-57-3- Standard SMILES
Clc1nn2ccnc2c2cccnc12- InChIKey
SZFSCJWFJANENJ-UHFFFAOYSA-N- Molecular formula
- C9H5ClN4
- Average molar mass
- 204.61 g/mol
- Monoisotopic mass
- 204.0202739
Names & identifiers
- Preferred name
- 8-Chloro-3,6,7,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene
- IUPAC
- 8-chloro-3,6,7,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene
Names & synonyms
NSC2788797589-57-3DTXSID90313939NSC-2788796-chloroimidazo[[?]]pyrido[[?]]pyridazine6-Chloroimidazo[1,2-b]pyrido[3,2-d]pyridazineImidazo[1,2-b]pyrido[3,2-d]pyridazine, 6-chloro-
Database identifiers
- CAS
7589-57-3- PubChem CID
- 322264
- DTXSID
DTXSID90313939
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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