Found 5 results

Search term: MF = 'C_{13}H_{7}Br_{2}NO_{3}'
ChemSpider 2D Image | pseudocerolide A | C13H7Br2NO3

pseudocerolide A

  • Molecular FormulaC13H7Br2NO3
  • Average mass385.008 Da
  • Monoisotopic mass382.879242 Da
  • ChemSpider ID82950820

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-4,6-Dibrom-5-hydroxy-3-(1H-pyrrol-2-ylmethylen)-1-benzofuran-2(3H)-on [German] [ACD/IUPAC Name]
(3Z)-4,6-Dibromo-5-hydroxy-3-(1H-pyrrol-2-ylmethylene)-1-benzofuran-2(3H)-one [ACD/IUPAC Name]
(3Z)-4,6-Dibromo-5-hydroxy-3-(1H-pyrrol-2-ylméthylène)-1-benzofuran-2(3H)-one [French] [ACD/IUPAC Name]
2(3H)-Benzofuranone, 4,6-dibromo-5-hydroxy-3-(1H-pyrrol-2-ylmethylene)-, (3Z)- [ACD/Index Name]
pseudocerolide A

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

Density: 2.1±0.1 g/cm3
Boiling Point: 521.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 269.2±30.1 °C
Index of Refraction: 1.795
Molar Refractivity: 77.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1096.25
ACD/KOC (pH 5.5): 4813.47
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 54.64
ACD/KOC (pH 7.4): 239.90
Polar Surface Area: 62 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 84.3±3.0 dyne/cm
Molar Volume: 183.0±3.0 cm3

Click to predict properties on the Chemicalize site


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