ChemSpider 2D Image | tert-butyl 4-chloro-1H,2H,3H-pyrrolo[3,2-c]pyridine-1-carboxylate | C12H15ClN2O2

tert-butyl 4-chloro-1H,2H,3H-pyrrolo[3,2-c]pyridine-1-carboxylate

  • Molecular FormulaC12H15ClN2O2
  • Average mass254.713 Da
  • Monoisotopic mass254.082199 Da
  • ChemSpider ID32674352

More details:

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

1H-Pyrrolo[3,2-c]pyridine-1-carboxylic acid, 4-chloro-2,3-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-chlor-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-carboxylat [German] [ACD/IUPAC Name]
494767-22-5 [RN]
4-Chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 4-chloro-1H,2H,3H-pyrrolo[3,2-c]pyridine-1-carboxylate
DKWPEZZBXCBPAG-UHFFFAOYSA-N
DS-8345
EMD638683 R-Form
MFCD26097282 [MDL number]
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 370.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.7±3.0 kJ/mol
    Flash Point: 177.7±27.9 °C
    Index of Refraction: 1.559
    Molar Refractivity: 65.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.74
    ACD/LogD (pH 5.5): 2.89
    ACD/BCF (pH 5.5): 92.04
    ACD/KOC (pH 5.5): 885.49
    ACD/LogD (pH 7.4): 2.89
    ACD/BCF (pH 7.4): 92.21
    ACD/KOC (pH 7.4): 887.18
    Polar Surface Area: 42 Å2
    Polarizability: 25.8±0.5 10-24cm3
    Surface Tension: 48.7±3.0 dyne/cm
    Molar Volume: 201.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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