Basic information
- Standard SMILES
Cc1cccc2oc(-c3cc([N+](=O)[O-])ccc3F)nc12- InChIKey
KELJKOMLFUBPPA-UHFFFAOYSA-N- Molecular formula
- C14H9FN2O3
- Average molar mass
- 272.23 g/mol
- Monoisotopic mass
- 272.05972032
Names & identifiers
- Preferred name
- 2-(3-Nitro-6-fluorophenyl)-4-methylbenzoxazole
- IUPAC
- 2-(2-fluoro-5-nitrophenyl)-4-methyl-1,3-benzoxazole
Names & synonyms
SCHEMBL5834795KELJKOMLFUBPPA-UHFFFAOYSA-N2-(3-Nitro-6-fluorophenyl)-4-methylbenzoxazole
Database identifiers
- PubChem CID
- 21884538
Properties
Computed structural properties
- XLogP
- 3.7
- 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
- 376
Related reactions
3 records
Compound notes
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