Basic information
- Standard SMILES
COc1cc(C)c(-c2ccnc(OS(=O)(=O)C(F)(F)F)c2[N+](=O)[O-])cc1F- InChIKey
YLAVMGNJSLBORF-UHFFFAOYSA-N- Molecular formula
- C14H10F4N2O6S
- Average molar mass
- 410.3 g/mol
Names & identifiers
- Preferred name
- Trifluoro-methanesulfonic acid 4-(5-fluoro-4-methoxy-2-methyl-phenyl)-3-nitro-pyridin-2-yl ester
- IUPAC
- [4-(5-fluoro-4-methoxy-2-methylphenyl)-3-nitro-2-pyridinyl] trifluoromethanesulfonate
Names & synonyms
Trifluoro-methanesulfonic acid 4-(5-fluoro-4-methoxy-2-methyl-phenyl)-3-nitro-pyridin-2-yl esterSCHEMBL6081906
Database identifiers
- PubChem CID
- 86591990
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 635
Related reactions
4 records
Compound notes
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