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Substance Name: Methyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoate
RN: 121325-44-8
InChIKey: QBFYBNCGOQKESJ-UHFFFAOYSA-N

Molecular Formula

  • C15-H9-Cl-F3-N-O5

Molecular Weight

  • 375.685
 
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Names and Synonyms

  • Methyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoate

Registry Numbers

CAS Registry Number

  • 121325-44-8

System Generated Number

  • 0121325448

Structure Descriptors

InChI

1S/C15H9ClF3NO5/c1-24-14(21)10-7-9(3-5-12(10)20(22)23)25-13-6-8(15(17,18)19)2-4-11(13)16/h2-7H,1H3

InChIKey

QBFYBNCGOQKESJ-UHFFFAOYSA-N

Smiles

Clc1c(cc(C(F)(F)F)cc1)Oc1cc(C(=O)OC)c([N+](=O)[O-])cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.21 (none)   EXP
Water Solubility 0.447 mg/L 25 EST
Vapor Pressure 1.66E-07 mm Hg 25 EST
Henry's Law Constant 1.93E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.36E-13 cm3/molecule-sec 25 EST

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