ChemSpider 2D Image | Methyl trans-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexanecarboxylate | C16H19N3O3

Methyl trans-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexanecarboxylate

  • Molecular FormulaC16H19N3O3
  • Average mass301.340 Da
  • Monoisotopic mass301.142639 Da
  • ChemSpider ID21629651

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclohexanecarboxylic acid, 4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]-, methyl ester, trans- [ACD/Index Name]
Methyl trans-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexanecarboxylate [ACD/IUPAC Name]
Methyl-trans-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexancarboxylat [German] [ACD/IUPAC Name]
trans-4-[(4-Oxo-1,2,3-benzotriazin-3(4H)-yl)méthyl]cyclohexanecarboxylate de méthyle [French] [ACD/IUPAC Name]
(1r,4r)-methyl 4-((4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl)cyclohexanecarboxylate
1212186-62-3 [RN]
4-(4-Oxo-4H-benzo[d][1,2,3]triazin-3-ylmethyl)-cyclohexanecarboxylic acid methyl ester
cyclohexanecarboxylic acid, 4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl], methyl ester, trans-
methyl (1r,4r)-4-[(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl]cyclohexane-1-carboxylate
methyl 4-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl)cyclohexanecarboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 433.0±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.9±3.0 kJ/mol
    Flash Point: 215.7±26.5 °C
    Index of Refraction: 1.645
    Molar Refractivity: 81.6±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.28
    ACD/LogD (pH 5.5): 2.93
    ACD/BCF (pH 5.5): 99.91
    ACD/KOC (pH 5.5): 939.56
    ACD/LogD (pH 7.4): 2.93
    ACD/BCF (pH 7.4): 99.91
    ACD/KOC (pH 7.4): 939.56
    Polar Surface Area: 71 Å2
    Polarizability: 32.4±0.5 10-24cm3
    Surface Tension: 52.0±7.0 dyne/cm
    Molar Volume: 225.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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