ChemSpider 2D Image | (6Z)-4-Bromo-6-(5-bromo-1,3-benzoxazol-2(3H)-ylidene)-2,4-cyclohexadien-1-one | C13H7Br2NO2

(6Z)-4-Bromo-6-(5-bromo-1,3-benzoxazol-2(3H)-ylidene)-2,4-cyclohexadien-1-one

  • Molecular FormulaC13H7Br2NO2
  • Average mass369.008 Da
  • Monoisotopic mass366.884338 Da
  • ChemSpider ID57442404

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z)-4-Brom-6-(5-brom-1,3-benzoxazol-2(3H)-yliden)-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
(6Z)-4-Bromo-6-(5-bromo-1,3-benzoxazol-2(3H)-ylidene)-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
(6Z)-4-Bromo-6-(5-bromo-1,3-benzoxazol-2(3H)-ylidène)-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
2,4-Cyclohexadien-1-one, 4-bromo-6-(5-bromo-2(3H)-benzoxazolylidene)-, (6Z)- [ACD/Index Name]
Phenol, 4-bromo-2-(5-bromo-2-benzoxazolyl)- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 373.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.1±3.0 kJ/mol
Flash Point: 179.9±27.9 °C
Index of Refraction: 1.727
Molar Refractivity: 74.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 212.89
ACD/KOC (pH 5.5): 1614.76
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 212.89
ACD/KOC (pH 7.4): 1614.76
Polar Surface Area: 38 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 186.6±3.0 cm3

Click to predict properties on the Chemicalize site


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