Basic information
- CAS
5622-58-2- Standard SMILES
O=[N+]([O-])c1ccc(N=Cc2nc(-c3ccccc3F)oc2O)c(Br)c1- InChIKey
MFZYAYWFLGLKHB-UHFFFAOYSA-N- Molecular formula
- C16H9BrFN3O4
- Average molar mass
- 406.16 g/mol
- Monoisotopic mass
- 404.97605
Names & identifiers
- Preferred name
- 4-[(2-Bromo-4-nitrophenyl)iminomethyl]-2-(2-fluorophenyl)-1,3-oxazol-5-ol
- IUPAC
- 4-[(2-bromo-4-nitrophenyl)iminomethyl]-2-(2-fluorophenyl)-1,3-oxazol-5-ol
Names & synonyms
AC1OBKL0DTXSID904258094-[(2-Bromo-4-nitroanilino)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5(4H)-one
Database identifiers
- CAS
5622-58-2- PubChem CID
- 5239042
- DTXSID
DTXSID90425809
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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