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Search term: CNCBHMFRNJAUKC-FYWRMAATSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2E)-3-(6-{[(2,6-Dichlorophenyl)sulfanyl]methyl}-3-[4-(4-methoxyphenyl)butoxy]-2-pyridinyl)acrylic acid | C26H25Cl2NO4S

(2E)-3-(6-{[(2,6-Dichlorophenyl)sulfanyl]methyl}-3-[4-(4-methoxyphenyl)butoxy]-2-pyridinyl)acrylic acid

  • Molecular FormulaC26H25Cl2NO4S
  • Average mass518.452 Da
  • Monoisotopic mass517.088135 Da
  • ChemSpider ID8134050

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(6-{[(2,6-Dichlorophenyl)sulfanyl]methyl}-3-[4-(4-methoxyphenyl)butoxy]-2-pyridinyl)acrylic acid [ACD/IUPAC Name]
(2E)-3-(6-{[(2,6-dichlorophenyl)sulfanyl]methyl}-3-[4-(4-methoxyphenyl)butoxy]pyridin-2-yl)prop-2-enoic acid
(2E)-3-(6-{[(2,6-Dichlorphenyl)sulfanyl]methyl}-3-[4-(4-methoxyphenyl)butoxy]-2-pyridinyl)acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[6-[[(2,6-dichlorophenyl)thio]methyl]-3-[4-(4-methoxyphenyl)butoxy]-2-pyridinyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-(6-{[(2,6-dichlorophényl)sulfanyl]méthyl}-3-[4-(4-méthoxyphényl)butoxy]-2-pyridinyl)acrylique [French] [ACD/IUPAC Name]
(E)-3-{6-(2,6-Dichloro-phenylsulfanylmethyl)-3-[4-(4-methoxy-phenyl)-butoxy]-pyridin-2-yl}-acrylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 671.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 359.9±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 138.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.56
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 204.07
ACD/KOC (pH 5.5): 285.15
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 16.97
ACD/KOC (pH 7.4): 23.72
Polar Surface Area: 94 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 382.8±5.0 cm3

Click to predict properties on the Chemicalize site


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