7,9-Dibromo-2,5-dimethoxy-1,3,4,6,9b-pentaazaphenalene
Basic information
- CAS
88061-95-4- Standard SMILES
COC1=NC2=NC(OC)=NC3=C(Br)C=C(Br)C(=N1)N23- InChIKey
SVQBNYSGEFXLMQ-UHFFFAOYSA-N- Molecular formula
- C10H7Br2N5O2
- Average molar mass
- 389 g/mol
- Monoisotopic mass
- 386.89665
Names & identifiers
- Preferred name
- 7,9-Dibromo-2,5-dimethoxy-1,3,4,6,9b-pentaazaphenalene
- IUPAC
- 10,12-dibromo-3,7-dimethoxy-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
Names & synonyms
7,9-Dibromo-2,5-dimethoxy-1,3,4,6,9b-pentaazaphenalene88061-95-4NSC3706604RRZ2W2SDQUNII-4RRZ2W2SDQNSC 370660NSC-370660dibromo(dimethoxy)[?]DTXSID8023678410,12-dibromo-3,7-dimethoxy-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
Database identifiers
- CAS
88061-95-4- PubChem CID
- 340322
- DTXSID
DTXSID80236784- UNII
- 4RRZ2W2SDQ
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 596
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Related reactions
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Compound notes
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