Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(F)c(-c2nc3cc(C(F)(F)F)ccc3o2)c1- InChIKey
MJWHLPMICMEIDT-UHFFFAOYSA-N- Molecular formula
- C14H6F4N2O3
- Average molar mass
- 326.2 g/mol
- Monoisotopic mass
- 326.03145471
Names & identifiers
- Preferred name
- 2-(3-Nitro-6-fluorophenyl)-5-trifluoromethylbenzoxazole
- IUPAC
- 2-(2-fluoro-5-nitrophenyl)-5-(trifluoromethyl)-1,3-benzoxazole
Names & synonyms
2-(3-Nitro-6-fluorophenyl)-5-trifluoromethylbenzoxazoleSCHEMBL5834862
Database identifiers
- PubChem CID
- 21884511
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 456
Related reactions
3 records
Compound notes
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