ChemSpider 2D Image | (S)-2-(3-Bromophenyl)-4-(tert-butyl)-4,5-dihydrooxazole | C13H16BrNO

(S)-2-(3-Bromophenyl)-4-(tert-butyl)-4,5-dihydrooxazole

  • Molecular FormulaC13H16BrNO
  • Average mass282.176 Da
  • Monoisotopic mass281.041504 Da
  • ChemSpider ID28536776

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-2-(3-Bromophenyl)-4-(2-methyl-2-propanyl)-4,5-dihydro-1,3-oxazole [ACD/IUPAC Name]
(4S)-2-(3-Bromophényl)-4-(2-méthyl-2-propanyl)-4,5-dihydro-1,3-oxazole [French] [ACD/IUPAC Name]
(4S)-2-(3-Bromphenyl)-4-(2-methyl-2-propanyl)-4,5-dihydro-1,3-oxazol [German] [ACD/IUPAC Name]
(S)-2-(3-Bromophenyl)-4-(tert-butyl)-4,5-dihydrooxazole
1291790-28-7 [RN]
Oxazole, 2-(3-bromophenyl)-4-(1,1-dimethylethyl)-4,5-dihydro-, (4S)- [ACD/Index Name]
(4S)-2-(3-Bromophenyl)-4-tert-butyl-4,5-dihydro-1,3-oxazole
(S)-2-(3-BROMOPHENYL)-4-T-BUTYL-4,5-DIHYDROOXAZOLE
[1291790-28-7] [RN]
HI-1705
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 345.9±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.7±3.0 kJ/mol
    Flash Point: 163.0±23.2 °C
    Index of Refraction: 1.570
    Molar Refractivity: 69.3±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.34
    ACD/LogD (pH 5.5): 3.80
    ACD/BCF (pH 5.5): 447.09
    ACD/KOC (pH 5.5): 2695.74
    ACD/LogD (pH 7.4): 3.83
    ACD/BCF (pH 7.4): 476.92
    ACD/KOC (pH 7.4): 2875.61
    Polar Surface Area: 22 Å2
    Polarizability: 27.5±0.5 10-24cm3
    Surface Tension: 37.0±7.0 dyne/cm
    Molar Volume: 211.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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