ChemSpider 2D Image | 5-Bromo-2,3-difluorocinnamic acid | C9H5BrF2O2

5-Bromo-2,3-difluorocinnamic acid

  • Molecular FormulaC9H5BrF2O2
  • Average mass263.036 Da
  • Monoisotopic mass261.944092 Da
  • ChemSpider ID81367014

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(5-Brom-2,3-difluorphenyl)acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-(5-Bromo-2,3-difluorophenyl)-2-propenoic acid
(2E)-3-(5-Bromo-2,3-difluorophenyl)acrylic acid [ACD/IUPAC Name]
2-Propenoic acid, 3-(5-bromo-2,3-difluorophenyl)-, (2E)- [ACD/Index Name]
5-Bromo-2,3-difluorocinnamic acid [ACD/IUPAC Name]
Acide (2E)-3-(5-bromo-2,3-difluorophényl)acrylique [French] [ACD/IUPAC Name]
QV1U1R BF CF EE &&E or trans Form [WLN]
(E)-3-(5-bromo-2,3-difluorophenyl)acrylic acid
2387460-69-5 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 330.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.5±3.0 kJ/mol
Flash Point: 153.9±27.9 °C
Index of Refraction: 1.603
Molar Refractivity: 51.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 2.97
ACD/KOC (pH 5.5): 28.03
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 149.6±3.0 cm3

Click to predict properties on the Chemicalize site


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