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Search term: MF = 'C_{7}H_{6}ClNO_{4}S'
ChemSpider 2D Image | Methyl 5-(chlorosulfonyl)nicotinate | C7H6ClNO4S

Methyl 5-(chlorosulfonyl)nicotinate

  • Molecular FormulaC7H6ClNO4S
  • Average mass235.645 Da
  • Monoisotopic mass234.970612 Da
  • ChemSpider ID28543973

More details:

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

3-Pyridinecarboxylic acid, 5-(chlorosulfonyl)-, methyl ester [ACD/Index Name]
5-(Chlorosulfonyl)nicotinate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-(chlorosulfonyl)nicotinate [ACD/IUPAC Name]
Methyl-5-(chlorsulfonyl)nicotinat [German] [ACD/IUPAC Name]
[594839-14-2] [RN]
594839-14-2 [RN]
5-Chlorosulfonyl-nicotinic acid methyl ester
methyl 5-(chlorosulfonyl)pyridine-3-carboxylate
MFCD19160571

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 359.0±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.5±3.0 kJ/mol
    Flash Point: 170.9±23.7 °C
    Index of Refraction: 1.540
    Molar Refractivity: 49.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.45
    ACD/LogD (pH 5.5): 1.32
    ACD/BCF (pH 5.5): 5.91
    ACD/KOC (pH 5.5): 124.18
    ACD/LogD (pH 7.4): 1.32
    ACD/BCF (pH 7.4): 5.91
    ACD/KOC (pH 7.4): 124.18
    Polar Surface Area: 82 Å2
    Polarizability: 19.5±0.5 10-24cm3
    Surface Tension: 51.7±3.0 dyne/cm
    Molar Volume: 157.2±3.0 cm3

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