ChemSpider 2D Image | (1S)-1-(3-Nitrophenyl)ethanol | C8H9NO3

(1S)-1-(3-Nitrophenyl)ethanol

  • Molecular FormulaC8H9NO3
  • Average mass167.162 Da
  • Monoisotopic mass167.058243 Da
  • ChemSpider ID28290912

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-(3-Nitrophenyl)ethanol [German] [ACD/IUPAC Name]
(1S)-1-(3-Nitrophenyl)ethanol [ACD/IUPAC Name]
(1S)-1-(3-Nitrophényl)éthanol [French] [ACD/IUPAC Name]
Benzenemethanol, α-methyl-3-nitro-, (αS)- [ACD/Index Name]
(1S)-1-(3-nitrophenyl)ethan-1-ol
(S)-1-(3-nitrophenyl)ethan-1-ol
(s)-1-(3-nitrophenyl)ethanol
103966-65-0 [RN]
Benzenemethanol, α-methyl-3-nitro-, (αS)- (9CI)
MFCD18339548 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 281.3±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.9±3.0 kJ/mol
    Flash Point: 124.2±11.1 °C
    Index of Refraction: 1.577
    Molar Refractivity: 43.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.11
    ACD/LogD (pH 5.5): 1.33
    ACD/BCF (pH 5.5): 6.03
    ACD/KOC (pH 5.5): 126.00
    ACD/LogD (pH 7.4): 1.33
    ACD/BCF (pH 7.4): 6.03
    ACD/KOC (pH 7.4): 126.00
    Polar Surface Area: 66 Å2
    Polarizability: 17.4±0.5 10-24cm3
    Surface Tension: 51.6±3.0 dyne/cm
    Molar Volume: 132.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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