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Substance Name: Triflusulfuron [ISO]
RN: 135990-29-3
UNII: 019NSK845Q
InChIKey: AKTQJCBOGPBERP-UHFFFAOYSA-N

Molecular Formula

  • C16-H17-F3-N6-O6-S

Molecular Weight

  • 478.4063
 
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Names and Synonyms

Results Name

  • Triflusulfuron [ISO]

Name of Substance

  • Triflusulfuron [ISO]

Synonyms

  • Triflusulfuron
  • UNII-019NSK845Q

Systematic Name

  • Benzoic acid, 2-(((((4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-3-methyl-

Registry Numbers

CAS Registry Number

  • 135990-29-3

FDA UNII

  • 019NSK845Q

System Generated Number

  • 0135990293

Structure Descriptors

InChI

1S/C16H17F3N6O6S/c1-8-5-4-6-9(11(26)27)10(8)32(29,30)24-14(28)21-12-20-13(25(2)3)23-15(22-12)31-7-16(17,18)19/h4-6H,7H2,1-3H3,(H,26,27)(H2,20,21,22,23,24,28)

InChIKey

AKTQJCBOGPBERP-UHFFFAOYSA-N

Smiles

Cc1cccc(c1S(=O)(=O)NC(=O)Nc2nc(nc(n2)OCC(F)(F)F)N(C)C)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 161.5 deg C   EXP
pKa Dissociation Constant 4.4 (none)   EXP
log P (octanol-water) 3.100 (none)   EST
Water Solubility 1 mg/L 25 EXP
Atmospheric OH Rate Constant 4.24E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.