Basic information
- CAS
71989-66-7- Standard SMILES
Cc1c(Br)c(C)[n+]([O-])n1O- InChIKey
HUUMTIBPWHLUIU-UHFFFAOYSA-N- Molecular formula
- C5H7BrN2O2
- Average molar mass
- 207.03 g/mol
- Monoisotopic mass
- 205.96909
Names & identifiers
- Preferred name
- 4-Bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium
- IUPAC
- 4-bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium
Names & synonyms
71989-66-7NSC3672494-bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-iumDTXSID80320955NSC-3672494-Bromo-3,5-dimethyl-2-oxo-1H-2lambda~5~-pyrazol-1-ol
Database identifiers
- CAS
71989-66-7- PubChem CID
- 339652
- DTXSID
DTXSID80320955
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 135
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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