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Substance Name: Methyl 5-(2-chloro-4-(trifluoromethyl)phenyl)sulfinyl-2-nitrobenzoate
RN: 143502-48-1
InChIKey: NEUQQLHYZBGHPU-UHFFFAOYSA-N

Molecular Formula

  • C15-H9-Cl-F3-N-O5-S

Molecular Weight

  • 407.751
 
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Names and Synonyms

  • Methyl 5-(2-chloro-4-(trifluoromethyl)phenyl)sulfinyl-2-nitrobenzoate

Registry Numbers

CAS Registry Number

  • 143502-48-1

System Generated Number

  • 0143502481

Structure Descriptors

InChI

1S/C15H9ClF3NO5S/c1-25-14(21)10-7-9(3-4-12(10)20(22)23)26(24)13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3

InChIKey

NEUQQLHYZBGHPU-UHFFFAOYSA-N

Smiles

Clc1cc(C(F)(F)F)ccc1[S@@](=O)c1cc(C(=O)OC)c([N+]([O-])=O)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.65 (none)   EXP
Water Solubility 0.853 mg/L 25 EST
Vapor Pressure 2.03E-09 mm Hg 25 EST
Henry's Law Constant 3.24E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.03E-11 cm3/molecule-sec 25 EST

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