ChemSpider 2D Image | Methyl 7-tosyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate | C15H13N3O4S

Methyl 7-tosyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate

  • Molecular FormulaC15H13N3O4S
  • Average mass331.346 Da
  • Monoisotopic mass331.062683 Da
  • ChemSpider ID25992638

More details:

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

1261365-63-2 [RN]
7-[(4-Méthylphényl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid, 7-[(4-methylphenyl)sulfonyl]-, methyl ester [ACD/Index Name]
Methyl 7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate [ACD/IUPAC Name]
Methyl 7-tosyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
Methyl-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-carboxylat [German] [ACD/IUPAC Name]
MFCD18374093 [MDL number]
[1261365-63-2] [RN]
Methyl 7-(4-methylbenzene-1-sulfonyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
methyl 7-(4-methylbenzenesulfonyl)-7h-pyrrolo[2,3-d]pyrimidine-4-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 532.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.8±3.0 kJ/mol
    Flash Point: 275.9±32.9 °C
    Index of Refraction: 1.664
    Molar Refractivity: 85.7±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.72
    ACD/LogD (pH 5.5): 2.32
    ACD/BCF (pH 5.5): 34.26
    ACD/KOC (pH 5.5): 436.71
    ACD/LogD (pH 7.4): 2.32
    ACD/BCF (pH 7.4): 34.26
    ACD/KOC (pH 7.4): 436.75
    Polar Surface Area: 100 Å2
    Polarizability: 34.0±0.5 10-24cm3
    Surface Tension: 56.5±7.0 dyne/cm
    Molar Volume: 231.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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