chempirical

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

Identifiers

CAS number
181274-17-9
SMILES
COc1nn(C(=O)[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(=O)n1C.[Na+]
InChIKey
KKCLIBMLUMCTMZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H11F3N4O6S.Na/c1-18-10(24-2)16-19(11(18)21)9(20)17-26(22,23)8-6-4-3-5-7(8)25-12(13,14)15;/h3-6H,1-2H3,(H,17,20);

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)benzenesulfonyl isocyanate99722-81-332 % 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