ChemSpider 2D Image | Methyl 2-(chloromethyl)thiazole-4-carboxylate | C6H6ClNO2S

Methyl 2-(chloromethyl)thiazole-4-carboxylate

  • Molecular FormulaC6H6ClNO2S
  • Average mass191.635 Da
  • Monoisotopic mass190.980774 Da
  • ChemSpider ID21429322

More details:

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

2-(Chlorométhyl)-1,3-thiazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
321371-29-3 [RN]
4-Thiazolecarboxylic acid, 2-(chloromethyl)-, methyl ester [ACD/Index Name]
Methyl 2-(chloromethyl)-1,3-thiazole-4-carboxylate [ACD/IUPAC Name]
Methyl 2-(chloromethyl)thiazole-4-carboxylate
Methyl-2-(chlormethyl)-1,3-thiazol-4-carboxylat [German] [ACD/IUPAC Name]
MFCD08669440 [MDL number]
[321371-29-3] [RN]
2-(chloromethyl)-4-thiazolecarboxylic acid methyl ester
4-(Chloromethyl)-1-methoxy-2-methylbenzene [ACD/IUPAC Name]
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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: 1.4±0.1 g/cm3
    Boiling Point: 261.2±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.9±3.0 kJ/mol
    Flash Point: 111.8±21.8 °C
    Index of Refraction: 1.556
    Molar Refractivity: 44.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.31
    ACD/LogD (pH 5.5): 1.58
    ACD/BCF (pH 5.5): 9.39
    ACD/KOC (pH 5.5): 172.89
    ACD/LogD (pH 7.4): 1.58
    ACD/BCF (pH 7.4): 9.39
    ACD/KOC (pH 7.4): 172.89
    Polar Surface Area: 67 Å2
    Polarizability: 17.5±0.5 10-24cm3
    Surface Tension: 49.2±3.0 dyne/cm
    Molar Volume: 137.7±3.0 cm3

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