Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(F)c(-c2nc3cc(Br)ccc3o2)c1- InChIKey
IPERSBBFYCLTPH-UHFFFAOYSA-N- Molecular formula
- C13H6BrFN2O3
- Average molar mass
- 337.1 g/mol
- Monoisotopic mass
- 335.95458
Names & identifiers
- Preferred name
- 2-(2-Fluoro-5-nitrophenyl)-5-bromobenzoxazole
- IUPAC
- 5-bromo-2-(2-fluoro-5-nitrophenyl)-1,3-benzoxazole
Names & synonyms
SCHEMBL5834676IPERSBBFYCLTPH-UHFFFAOYSA-N2-(2-fluoro-5-nitrophenyl)-5-bromobenzoxazole2-(3-Nitro-6-fluorophenyl)-5-bromobenzoxazole
Database identifiers
- PubChem CID
- 21884439
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 381
Related reactions
5 records
Compound notes
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