3-Bromo-5-(4-nitrophenyl)-1,2,4-oxadiazole
Basic information
- CAS
121562-11-6- Standard SMILES
O=[N+]([O-])c1ccc(-c2nc(Br)no2)cc1- InChIKey
USDILNOQVHQVSN-UHFFFAOYSA-N- Molecular formula
- C8H4BrN3O3
- Average molar mass
- 270.04 g/mol
- Monoisotopic mass
- 268.9436
Names & identifiers
- Preferred name
- 3-Bromo-5-(4-nitrophenyl)-1,2,4-oxadiazole
- IUPAC
- 3-bromo-5-(4-nitrophenyl)-1,2,4-oxadiazole
Names & synonyms
3-bromo-5-(4-nitrophenyl)-1,2,4-oxadiazole121562-11-6DTXSID401265722InChI=1/C8H4BrN3O3/c9-8-10-7(15-11-8)5-1-3-6(4-2-5)12(13)14/h1-4
Database identifiers
- CAS
121562-11-6- PubChem CID
- 5323960
- DTXSID
DTXSID401265722
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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