ChemSpider 2D Image | 1-TERT-BUTYL 2-METHYL 4-CHLORO-1H-PYRROLO[3,2-C]PYRIDINE-1,2-DICARBOXYLATE | C14H15ClN2O4

1-TERT-BUTYL 2-METHYL 4-CHLORO-1H-PYRROLO[3,2-C]PYRIDINE-1,2-DICARBOXYLATE

  • Molecular FormulaC14H15ClN2O4
  • Average mass310.733 Da
  • Monoisotopic mass310.072021 Da
  • ChemSpider ID29362412

More details:

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

1418287-34-9 [RN]
1H-Pyrrolo[3,2-c]pyridine-1,2-dicarboxylic acid, 4-chloro-, 1-(1,1-dimethylethyl) 2-methyl ester [ACD/Index Name]
1-TERT-BUTYL 2-METHYL 4-CHLORO-1H-PYRROLO[3,2-C]PYRIDINE-1,2-DICARBOXYLATE
2-Methyl 1-(2-methyl-2-propanyl) 4-chloro-1H-pyrrolo[3,2-c]pyridine-1,2-dicarboxylate [ACD/IUPAC Name]
2-Methyl-1-(2-methyl-2-propanyl)-4-chlor-1H-pyrrolo[3,2-c]pyridin-1,2-dicarboxylat [German] [ACD/IUPAC Name]
4-Chloro-1H-pyrrolo[3,2-c]pyridine-1,2-dicarboxylate de 2-méthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1-t-Butyl 2-methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-1,2-dicarboxylate
1-tert-butyl2-methyl4-chloro-1H-pyrrolo[3,2-c]pyridine-1,2-dicarboxylate
atoms 21 bonds 22
MFCD23703283

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 436.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.3±3.0 kJ/mol
    Flash Point: 217.7±31.5 °C
    Index of Refraction: 1.576
    Molar Refractivity: 77.9±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.02
    ACD/LogD (pH 5.5): 3.18
    ACD/BCF (pH 5.5): 153.53
    ACD/KOC (pH 5.5): 1270.80
    ACD/LogD (pH 7.4): 3.19
    ACD/BCF (pH 7.4): 156.51
    ACD/KOC (pH 7.4): 1295.49
    Polar Surface Area: 70 Å2
    Polarizability: 30.9±0.5 10-24cm3
    Surface Tension: 43.0±7.0 dyne/cm
    Molar Volume: 235.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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