ChemSpider 2D Image | 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)acrylate | C20H25BrO4

1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)acrylate

  • Molecular FormulaC20H25BrO4
  • Average mass409.314 Da
  • Monoisotopic mass408.093628 Da
  • ChemSpider ID24700282

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3-Bromo-4-hydroxy-5-méthoxyphényl)acrylate de 1,7,7-triméthylbicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]
1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)acrylate [ACD/IUPAC Name]
1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl-(2E)-3-(3-brom-4-hydroxy-5-methoxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, (2E)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL480928/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 453.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 228.1±28.7 °C
Index of Refraction: 1.593
Molar Refractivity: 100.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7157.75
ACD/KOC (pH 5.5): 19980.45
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6230.02
ACD/KOC (pH 7.4): 17390.73
Polar Surface Area: 56 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 295.5±5.0 cm3

Click to predict properties on the Chemicalize site


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