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Substance Name: Pyrithiobac [ISO]
RN: 123342-93-8
UNII: 3327Q8RB9O
InChIKey: QEGVVEOAVNHRAA-UHFFFAOYSA-N

Molecular Formula

  • C13-H11-Cl-N2-O4-S

Molecular Weight

  • 326.7589
 
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Names and Synonyms

Name of Substance

  • Pyrithiobac [ISO]

Synonyms

  • Pyrithiobac
  • UNII-3327Q8RB9O

Registry Numbers

CAS Registry Number

  • 123342-93-8

FDA UNII

  • 3327Q8RB9O

System Generated Number

  • 0123342938

Structure Descriptors

InChI

1S/C13H11ClN2O4S/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18/h3-6H,1-2H3,(H,17,18)

InChIKey

QEGVVEOAVNHRAA-UHFFFAOYSA-N

Smiles

c1ccc(c(C(O)=O)c1Cl)Sc1nc(cc(OC)n1)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 149.5 deg C   EXP
log P (octanol-water) 2.740 (none)   EST
Atmospheric OH Rate Constant 1.86E-10 cm3/molecule-sec 25 EST

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