ChemSpider 2D Image | 3-[(2,2,3,3-~2~H_4_)Cyclopropylmethoxy]-4-(difluoromethoxy)benzoic acid | C12H8D4F2O4

3-[(2,2,3,3-2H4)Cyclopropylmethoxy]-4-(difluoromethoxy)benzoic acid

  • Molecular FormulaC12H8D4F2O4
  • Average mass262.243 Da
  • Monoisotopic mass262.095459 Da
  • ChemSpider ID48058510

  • Non-standard isotope - Non-standard isotope

More details:

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

3-[(2,2,3,3-2H4)Cyclopropylmethoxy]-4-(difluormethoxy)benzoesäure [German] [ACD/IUPAC Name]
3-[(2,2,3,3-2H4)Cyclopropylmethoxy]-4-(difluoromethoxy)benzoic acid [ACD/IUPAC Name]
Acide 3-[(2,2,3,3-2H4)cyclopropylméthoxy]-4-(difluorométhoxy)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(cyclopropyl-2,2,3,3-d4-methoxy)-4-(difluoromethoxy)- [ACD/Index Name]
1794816-96-8 [RN]
3-cyclopropylmethoxy-4-difluoromethoxybenzoic-d4 acid
4-(difluoromethoxy)-3-[(2,2,3,3-tetradeuteriocyclopropyl)methoxy]benzoic acid

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 356.4±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 63.5±3.0 kJ/mol
    Flash Point: 169.4±26.5 °C
    Index of Refraction: 1.528
    Molar Refractivity: 58.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.07
    ACD/LogD (pH 5.5): 1.11
    ACD/BCF (pH 5.5): 1.66
    ACD/KOC (pH 5.5): 17.24
    ACD/LogD (pH 7.4): -0.27
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 56 Å2
    Polarizability: 23.3±0.5 10-24cm3
    Surface Tension: 44.4±3.0 dyne/cm
    Molar Volume: 190.5±3.0 cm3

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