ChemSpider 2D Image | (2E)-3-(3-Bromo-5-fluorophenyl)acrylic acid | C9H6BrFO2

(2E)-3-(3-Bromo-5-fluorophenyl)acrylic acid

  • Molecular FormulaC9H6BrFO2
  • Average mass245.045 Da
  • Monoisotopic mass243.953506 Da
  • ChemSpider ID23347376

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3-Brom-5-fluorphenyl)acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-(3-Bromo-5-fluorophenyl)acrylic acid [ACD/IUPAC Name]
2-Propenoic acid, 3-(3-bromo-5-fluorophenyl)-, (2E)- [ACD/Index Name]
Acide (2E)-3-(3-bromo-5-fluorophényl)acrylique [French] [ACD/IUPAC Name]
(2E)-3-(3-bromo-5-fluorophenyl)prop-2-enoic acid
1426305-67-0 [RN]
3-(3-Bromo-5-fluoro-phenyl)-acrylic acid
3-Bromo-5-fluorocinnamic acid
887268-21-5 [RN]
98%
More...

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

PubChem Substance ID 24859066 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 336.7±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.2±3.0 kJ/mol
Flash Point: 157.4±25.1 °C
Index of Refraction: 1.625
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: 3.36
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 2.33
ACD/KOC (pH 5.5): 25.64
ACD/LogD (pH 7.4): -0.53
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: 51.5±3.0 dyne/cm
Molar Volume: 145.4±3.0 cm3

Click to predict properties on the Chemicalize site


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