ChemSpider 2D Image | (E)-3-(6-bromopyridin-3-yl)acrylic acid | C8H6BrNO2

(E)-3-(6-bromopyridin-3-yl)acrylic acid

  • Molecular FormulaC8H6BrNO2
  • Average mass228.043 Da
  • Monoisotopic mass226.958176 Da
  • ChemSpider ID26485300

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(6-Brom-3-pyridinyl)acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-(6-Bromo-3-pyridinyl)acrylic acid [ACD/IUPAC Name]
(E)-3-(6-bromopyridin-3-yl)acrylic acid
1035123-89-7 [RN]
2-Propenoic acid, 3-(6-bromo-3-pyridinyl)-, (2E)- [ACD/Index Name]
Acide (2E)-3-(6-bromo-3-pyridinyl)acrylique [French] [ACD/IUPAC Name]
 
(2E)-3-(6-bromopyridin-3-yl)prop-2-enoic acid
(Z/E)-3-(6-bromopyridin-3-yl)acrylic acid
[1035123-89-7] [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 372.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 179.1±23.7 °C
Index of Refraction: 1.658
Molar Refractivity: 49.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.96
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 50 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 134.4±3.0 cm3

Click to predict properties on the Chemicalize site


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