Flucarbazone-sodium

C12H10F3N4NaO6SCAS 181274-17-9418.28 g/mol

Open in Covalent MOL file
ONNON−SOOOFFFONNa+
Alkyl halideEther

Properties

Molecular formula
C12H10F3N4NaO6S
Molar mass
418.28 g/mol
Exact mass
418.0171 Da
logP
0.26Crippen estimate
Polar surface area
125.0 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
181274-17-9
SMILES
COc1nn(C(=O)[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(=O)n1C.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 1H-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt (1:1)
  • 1H-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt
  • MKH 6562
  • SJO 0498
  • BAY-MKH 6562
  • Everest

Work with Flucarbazone-sodium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Propoxycarbazone sodium181274-15-753 % similar 2-(Trifluoromethoxy)benzene-1-sulfonyl chloride103008-51-134 % similar 2-(Trifluoromethoxy)benzenesulfonamide37526-59-334 % similar 2'-(Trifluoromethoxy)acetophenone220227-93-032 % similar 2-(Trifluoromethoxy)benzenesulfonyl isocyanate99722-81-332 % similar Methyl 2-(trifluoromethoxy)benzoate148437-99-431 % similar Sodium saccharin128-44-931 % similar Trifloxysulfuron-sodium199119-58-930 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook