Basic information
- CAS
51807-82-0- Standard SMILES
Nc1nc(C(=O)c2ccc(Br)cc2)no1- InChIKey
QGAPCITYIQNIGX-UHFFFAOYSA-N- Molecular formula
- C9H6BrN3O2
- Average molar mass
- 268.07 g/mol
- Monoisotopic mass
- 266.96434
Names & identifiers
- Preferred name
- Methanone, (5-amino-1,2,4-oxadiazol-3-yl)(4-bromophenyl)-
- IUPAC
- (5-amino-1,2,4-oxadiazol-3-yl)-(4-bromophenyl)methanone
Names & synonyms
BRN 0792458Methanone, (5-amino-1,2,4-oxadiazol-3-yl)(4-bromophenyl)-(5-Amino-1,2,4-oxadiazol-3-yl)(4-bromophenyl)methanone51807-82-0DTXSID50199756RefChem:352724DTXCID10122247
Database identifiers
- CAS
51807-82-0- PubChem CID
- 3040211
- DTXSID
DTXSID50199756
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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