ChemSpider 2D Image | (2Z)-1-Bromo-4-{[(2E)-3-hydroxy-3-(4-nitrophenoxy)-2-propen-1-yl]sulfonyl}-2-buten-2-ol | C13H14BrNO7S

(2Z)-1-Bromo-4-{[(2E)-3-hydroxy-3-(4-nitrophenoxy)-2-propen-1-yl]sulfonyl}-2-buten-2-ol

  • Molecular FormulaC13H14BrNO7S
  • Average mass408.222 Da
  • Monoisotopic mass406.967438 Da
  • ChemSpider ID95560515

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-1-Brom-4-{[(2E)-3-hydroxy-3-(4-nitrophenoxy)-2-propen-1-yl]sulfonyl}-2-buten-2-ol [German] [ACD/IUPAC Name]
(2Z)-1-Bromo-4-{[(2E)-3-hydroxy-3-(4-nitrophenoxy)-2-propen-1-yl]sulfonyl}-2-buten-2-ol [ACD/IUPAC Name]
(2Z)-1-Bromo-4-{[(2E)-3-hydroxy-3-(4-nitrophénoxy)-2-propén-1-yl]sulfonyl}-2-butén-2-ol [French] [ACD/IUPAC Name]
2-Buten-2-ol, 1-bromo-4-[[(2E)-3-hydroxy-3-(4-nitrophenoxy)-2-propen-1-yl]sulfonyl]-, (2Z)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 703.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 379.2±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 85.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.28
ACD/KOC (pH 5.5): 515.80
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 34.06
ACD/KOC (pH 7.4): 405.88
Polar Surface Area: 138 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 69.4±3.0 dyne/cm
Molar Volume: 240.4±3.0 cm3

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