Trifluoromethanesulfonic acid 2-(4-fluorophenyl)-2-(3-nitropyridin-2-yl)-1-(pyridin-4-yl)vinyl ester
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Basic information
- Standard SMILES
O=[N+]([O-])c1cccnc1C(=C(OS(=O)(=O)C(F)(F)F)c1ccncc1)c1ccc(F)cc1- InChIKey
UTXGXBXASGFUPO-UHFFFAOYSA-N- Molecular formula
- C19H11F4N3O5S
- Average molar mass
- 469.4 g/mol
Names & identifiers
- Preferred name
- Trifluoromethanesulfonic acid 2-(4-fluorophenyl)-2-(3-nitropyridin-2-yl)-1-(pyridin-4-yl)vinyl ester
- IUPAC
- [2-(4-fluorophenyl)-2-(3-nitro-2-pyridinyl)-1-pyridin-4-ylethenyl] trifluoromethanesulfonate
Names & synonyms
trifluoromethanesulfonic acid 2-(4-fluorophenyl)-2-(3-nitropyridin-2-yl)-1-(pyridin-4-yl)vinyl esterSCHEMBL6642341
Database identifiers
- PubChem CID
- 54372060
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 795
Related reactions
3 records
Compound notes
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