3-Bromo-4-tert-butyl-1,2,5-oxadiazole 2-oxide
Basic information
- CAS
415712-01-5- Standard SMILES
CC(C)(C)c1no[n+]([O-])c1Br- InChIKey
DWVMZLFOLCLBRR-UHFFFAOYSA-N- Molecular formula
- C6H9BrN2O2
- Average molar mass
- 221.05 g/mol
- Monoisotopic mass
- 219.98474
Names & identifiers
- Preferred name
- 3-Bromo-4-tert-butyl-1,2,5-oxadiazole 2-oxide
- IUPAC
- 3-bromo-4-tert-butyl-2-oxido-1,2,5-oxadiazol-2-ium
Names & synonyms
415712-01-53-bromo-4-tert-butyl-1,2,5-oxadiazole 2-oxide3-bromo-4-tert-butyl-2-oxido-1,2,5-oxadiazol-2-iumDTXSID509681863-Bromo-4-tert-butyl-2-oxo-1,2lambda~5~,5-oxadiazole5347-45-5
Database identifiers
- CAS
415712-01-5- PubChem CID
- 779208
- DTXSID
DTXSID50968186
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 148
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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