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Substance Name: Pentoxazone [ISO]
RN: 110956-75-7
UNII: 8LW0PP7NLI
InChIKey: JZPKLLLUDLHCEL-UHFFFAOYSA-N

Molecular Formula

  • C17-H17-Cl-F-N-O4

Molecular Weight

  • 353.7753
 
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Names and Synonyms

Name of Substance

  • Pentoxazone [ISO]

Synonyms

  • Pentoxazone
  • UNII-8LW0PP7NLI

Registry Numbers

CAS Registry Number

  • 110956-75-7

FDA UNII

  • 8LW0PP7NLI

System Generated Number

  • 0110956757

Structure Descriptors

InChI

1S/C17H17ClFNO4/c1-9(2)15-16(21)20(17(22)24-15)13-8-14(11(18)7-12(13)19)23-10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3

InChIKey

JZPKLLLUDLHCEL-UHFFFAOYSA-N

Smiles

C1(N(C(O\C1=C(/C)C)=O)c1c(cc(c(c1)OC1CCCC1)Cl)F)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 104 deg C   EXP
log P (octanol-water) 4.260 (none)   EST
Water Solubility 0.216 mg/L 25 EXP
Atmospheric OH Rate Constant 6.73E-11 cm3/molecule-sec 25 EST

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