Basic information
- CAS
58860-36-9- Standard SMILES
Brc1cnc2c3nccn3ccn12- InChIKey
CBORSZFNINNNCF-UHFFFAOYSA-N- Molecular formula
- C8H5BrN4
- Average molar mass
- 237.06 g/mol
- Monoisotopic mass
- 235.96976
Names & identifiers
- Preferred name
- Diimidazo(1,2-a;2',1'-c)pyrazine, 3-bromo-
- IUPAC
- 5-bromo-3,6,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene
- English name
- 3-Bromodiimidazo[1,2-a:2',1'-c]pyrazine
- Molecular formula
- C8H5BrN4
- Molecular weight
- 237.06
Names & synonyms
58860-36-9BRN 11119993-Bromodiimidazo(1,2-a;2',1'-c)pyrazineDIIMIDAZO(1,2-a;2',1'-c)PYRAZINE, 3-BROMO-RefChem:3382763-bromodiimidazo[1,2-a:2',1'-c]pyrazineDTXSID60974359DB-262193Diimidazo[1,2-a:2',1'-c]pyrazine, 3-bromo-
Database identifiers
- CAS
58860-36-9- PubChem CID
- 42859
- DTXSID
DTXSID60974359- Nikkaji
- J69.156I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 259 · 259-261 °C(Solv: methanol (67-56-1))
- Density
- 1.98 · 1.98±0.1 g/cm3(Predicted)
- pka
- 2.93 · 2.93±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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