ChemSpider 2D Image | 4-(1,3-Benzoxazol-2-yl)-2,6-dibromophenol | C13H7Br2NO2

4-(1,3-Benzoxazol-2-yl)-2,6-dibromophenol

  • Molecular FormulaC13H7Br2NO2
  • Average mass369.008 Da
  • Monoisotopic mass366.884338 Da
  • ChemSpider ID22377696

More details:






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

4-(1,3-Benzoxazol-2-yl)-2,6-dibromophenol [ACD/IUPAC Name]
4-(1,3-Benzoxazol-2-yl)-2,6-dibromophénol [French] [ACD/IUPAC Name]
4-(1,3-Benzoxazol-2-yl)-2,6-dibromphenol [German] [ACD/IUPAC Name]
Phenol, 4-(2-benzoxazolyl)-2,6-dibromo- [ACD/Index Name]
MR5

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 389.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 189.2±27.9 °C
Index of Refraction: 1.709
Molar Refractivity: 76.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1629.07
ACD/KOC (pH 5.5): 5618.47
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 41.18
ACD/KOC (pH 7.4): 142.02
Polar Surface Area: 46 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 195.7±3.0 cm3

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