Basic information
- Standard SMILES
COC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)C(F)(F)F- InChIKey
OGAVJINKQJHVJE-UHFFFAOYSA-N- Molecular formula
- C9H6F3NO7S
- Average molar mass
- 329.21 g/mol
- Monoisotopic mass
- 328.98170719
Names & identifiers
- Preferred name
- Methyl 5-nitro-2-{[(trifluoromethyl)sulfonyl]oxy}benzoate
- IUPAC
- methyl 5-nitro-2-(trifluoromethylsulfonyloxy)benzoate
Names & synonyms
methyl 5-nitro-2-{[(trifluoromethyl)sulfonyl]oxy}benzoateSCHEMBL6686530
Database identifiers
- PubChem CID
- 18755364
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 507
Related reactions
2 records
Compound notes
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