chempirical

Primisulfuron-methyl

C15H12F4N4O7SCAS 86209-51-0468.34 g/mol

Open in Covalent MOL file
OOSOONHONHNOFFOFFN
Alkyl halideEsterEtherSulfonamide

Properties

Molecular formula
C15H12F4N4O7S
Molar mass
468.34 g/mol
Exact mass
468.0363 Da
Density
1.61 g/mL (at 20 °C)
Melting point
194.8–197.4 °C (decomposes)
logP
1.99Crippen estimate
Polar surface area
149.3 Ų
H-bond donors / acceptors
2 / 9
Rotatable bonds
8

Identifiers

CAS number
86209-51-0
SMILES
COC(=O)c1ccccc1S(=O)(=O)NC(O)=Nc1nc(OC(F)F)cc(OC(F)F)n1
InChIKey
ZTYVMAQSHCZXLF-UHFFFAOYSA-N
InChI
InChI=1S/C15H12F4N4O7S/c1-28-11(24)7-4-2-3-5-8(7)31(26,27)23-15(25)22-14-20-9(29-12(16)17)6-10(21-14)30-13(18)19/h2-6,12-13H,1H3,(H2,20,21,22,23,25)

Weigh it out

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

Names and synonyms

4 names
  • Benzoic acid, 2-[[[[[4,6-bis(difluoromethoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester
  • CGA 136872
  • Tell
  • Beacon

Work with Primisulfuron-methyl

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

Primisulfuron113036-87-677 % similar Sulfometuron methyl74222-97-270 % similar Chlorimuron-ethyl90982-32-455 % similar Oxasulfuron144651-06-955 % similar Mesosulfuron-methyl208465-21-855 % similar Bensulfuron-methyl83055-99-654 % similar Chlorimuron99283-00-854 % similar Nicosulfuron111991-09-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook