ChemSpider 2D Image | tert-butyl 2-chloro-5H,6H,7H-pyrrolo[3,4-d]pyrimidine-6-carboxylate | C11H14ClN3O2

tert-butyl 2-chloro-5H,6H,7H-pyrrolo[3,4-d]pyrimidine-6-carboxylate

  • Molecular FormulaC11H14ClN3O2
  • Average mass255.701 Da
  • Monoisotopic mass255.077454 Da
  • ChemSpider ID24746124

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

1211581-47-3 [RN]
2-Chloro-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-chloro-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-chlor-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylic acid, 2-chloro-5,7-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl 2-chloro-5H,6H,7H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
2-Chloro-5,7-dihydro-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester
6-Boc-2-chloro-5H-pyrrolo[3,4-d]pyrimidine
6h-​pyrrolo[3,​4-​d]​pyrimidine-​6-​carboxylic acid, 2-​chloro-​5,​7-​dihydro-​, 1,​1-​dimethylethyl ester
Chemistry 16738
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 401.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.3±3.0 kJ/mol
    Flash Point: 196.7±28.7 °C
    Index of Refraction: 1.562
    Molar Refractivity: 63.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.59
    ACD/LogD (pH 5.5): 1.63
    ACD/BCF (pH 5.5): 10.16
    ACD/KOC (pH 5.5): 182.98
    ACD/LogD (pH 7.4): 1.63
    ACD/BCF (pH 7.4): 10.16
    ACD/KOC (pH 7.4): 182.98
    Polar Surface Area: 55 Å2
    Polarizability: 25.1±0.5 10-24cm3
    Surface Tension: 54.0±3.0 dyne/cm
    Molar Volume: 195.2±3.0 cm3

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