Found 4 results

Search term: LJRSKOFNPMYRSO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ethyl 2-[4-(chloromethyl)phenyl](3,3,3-~2~H_3_)propanoate | C12H12D3ClO2

Ethyl 2-[4-(chloromethyl)phenyl](3,3,3-2H3)propanoate

  • Molecular FormulaC12H12D3ClO2
  • Average mass229.718 Da
  • Monoisotopic mass229.094894 Da
  • ChemSpider ID58781412

  • Non-standard isotope - Non-standard isotope

More details:

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

2-[4-(Chlorométhyl)phényl](3,3,3-2H3)propanoate d'éthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-(chloromethyl)-α-(methyl-d3)-, ethyl ester [ACD/Index Name]
Ethyl 2-[4-(chloromethyl)phenyl](3,3,3-2H3)propanoate [ACD/IUPAC Name]
Ethyl-2-[4-(chlormethyl)phenyl](3,3,3-2H3)propanoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 303.8±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.4±3.0 kJ/mol
Flash Point: 144.5±17.8 °C
Index of Refraction: 1.513
Molar Refractivity: 61.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 180.01
ACD/KOC (pH 5.5): 1432.04
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 180.01
ACD/KOC (pH 7.4): 1432.04
Polar Surface Area: 26 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 203.7±3.0 cm3

Click to predict properties on the Chemicalize site


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