ChemSpider 2D Image | (S)-Methyl 2-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenoxy)propanoate | C16H13ClF3NO4

(S)-Methyl 2-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenoxy)propanoate

  • Molecular FormulaC16H13ClF3NO4
  • Average mass375.727 Da
  • Monoisotopic mass375.048523 Da
  • ChemSpider ID30647194

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-2-(4-{[3-Chloro-5-(trifluorométhyl)-2-pyridinyl]oxy}phénoxy)propanoate de méthyle [French] [ACD/IUPAC Name]
(S)-Methyl 2-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenoxy)propanoate
116661-27-9 [RN]
Methyl (2S)-2-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenoxy)propanoate [ACD/IUPAC Name]
Methyl-(2S)-2-(4-{[3-chlor-5-(trifluormethyl)-2-pyridinyl]oxy}phenoxy)propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, methyl ester, (2S)- [ACD/Index Name]
(2S)?-2-?[4-?[[3-?chloro-?5-?(trifluoromethyl)?-?2-?pyridinyl]?oxy]?phenoxy]?-Propanoic acid methyl ester
(R)-2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propanoic acid methyl ester
(S)-haloxyfop methyl ester
(S)-haloxyfop-methyl
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  • Miscellaneous

    • Chemical Class:

      A methyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate that has <stereo>S</stereo> configuration. It is the (much less active) enantiomer of the proherbicide haloxyfop-P-methy l. ChEBI CHEBI:136733
      A methyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate that has S configuration. It is the (much less active) enantiomer of the proherbicide haloxyfop-P-methyl. ChEBI CHEBI:136733

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 390.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.0±3.0 kJ/mol
Flash Point: 190.2±27.9 °C
Index of Refraction: 1.513
Molar Refractivity: 83.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 545.39
ACD/KOC (pH 5.5): 3166.20
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 545.39
ACD/KOC (pH 7.4): 3166.20
Polar Surface Area: 58 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 276.1±3.0 cm3

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