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ChemSpider 2D Image | Methyl 3-chloro-4-(1-pyrrolidinyl)benzoate | C12H14ClNO2

Methyl 3-chloro-4-(1-pyrrolidinyl)benzoate

  • Molecular FormulaC12H14ClNO2
  • Average mass239.698 Da
  • Monoisotopic mass239.071304 Da
  • ChemSpider ID28553435

More details:

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

1375064-50-8 [RN]
3-Chloro-4-(1-pyrrolidinyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-chloro-4-(1-pyrrolidinyl)-, methyl ester [ACD/Index Name]
Methyl 3-chloro-4-(1-pyrrolidinyl)benzoate [ACD/IUPAC Name]
Methyl-3-chlor-4-(1-pyrrolidinyl)benzoat [German] [ACD/IUPAC Name]
[1375064-50-8] [RN]
5394-18-3 [RN]
785777-87-9 [RN]
METHYL 3-CHLORO-4-(PYRROLIDIN-1-YL)BENZOATE
Methyl3-Chloro-4-(1-pyrrolidinyl)benzoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 371.2±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.8±3.0 kJ/mol
    Flash Point: 178.3±25.1 °C
    Index of Refraction: 1.565
    Molar Refractivity: 63.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.41
    ACD/LogD (pH 5.5): 3.13
    ACD/BCF (pH 5.5): 142.01
    ACD/KOC (pH 5.5): 1208.24
    ACD/LogD (pH 7.4): 3.13
    ACD/BCF (pH 7.4): 142.11
    ACD/KOC (pH 7.4): 1209.10
    Polar Surface Area: 30 Å2
    Polarizability: 25.0±0.5 10-24cm3
    Surface Tension: 44.9±3.0 dyne/cm
    Molar Volume: 193.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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