ChemSpider 2D Image | (~2~H_3_)Methyl (2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate | C16H13D3ClNO2S

(2H3)Methyl (2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate

  • Molecular FormulaC16H13D3ClNO2S
  • Average mass324.840 Da
  • Monoisotopic mass324.077850 Da
  • ChemSpider ID78057680

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl (2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate [ACD/IUPAC Name]
(2H3)Methyl-(2-chlorphenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetat [German] [ACD/IUPAC Name]
(2-Chlorophényl)(6,7-dihydrothiéno[3,2-c]pyridin-5(4H)-yl)acétate de (2H3)méthyle [French] [ACD/IUPAC Name]
Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, methyl-d3 ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 423.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 210.0±28.7 °C
Index of Refraction: 1.617
Molar Refractivity: 85.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 840.19
ACD/KOC (pH 5.5): 4182.12
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 935.75
ACD/KOC (pH 7.4): 4657.76
Polar Surface Area: 58 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 244.3±3.0 cm3

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