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Substance Name: RH 8826
RN: 143502-47-0
InChIKey: WLIGHSWNRKCQBI-UHFFFAOYSA-N

Molecular Formula

  • C15-H9-Cl-F3-N-O6-S

Molecular Weight

  • 423.75
 
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Names and Synonyms

Results Name

  • RH 8826

Synonym

  • RH 8826

Systematic Name

  • Benzoic acid, 5-((2-chloro-4-(trifluoromethyl)phenyl)sulfonyl)-2-nitro-, methyl ester

Registry Numbers

CAS Registry Number

  • 143502-47-0

System Generated Number

  • 0143502470

Structure Descriptors

InChI

1S/C15H9ClF3NO6S/c1-26-14(21)10-7-9(3-4-12(10)20(22)23)27(24,25)13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3

InChIKey

WLIGHSWNRKCQBI-UHFFFAOYSA-N

Smiles

Clc1cc(C(F)(F)F)ccc1S(=O)(=O)c1cc(C(=O)OC)c([N+]([O-])=O)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.57 (none)   EXP
Water Solubility 0.793 mg/L 25 EST
Vapor Pressure 1.14E-09 mm Hg 25 EST
Henry's Law Constant 4.08E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.74E-13 cm3/molecule-sec 25 EST

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