ChemSpider 2D Image | 6-Bromo-4-(phenylsulfanyl)-2,1,3-benzoxadiazole | C12H7BrN2OS

6-Bromo-4-(phenylsulfanyl)-2,1,3-benzoxadiazole

  • Molecular FormulaC12H7BrN2OS
  • Average mass307.166 Da
  • Monoisotopic mass305.946228 Da
  • ChemSpider ID28636414

More details:

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

2,1,3-Benzoxadiazole, 6-bromo-4-(phenylthio)- [ACD/Index Name]
6-Brom-4-(phenylsulfanyl)-2,1,3-benzoxadiazol [German] [ACD/IUPAC Name]
6-Bromo-4-(phenylsulfanyl)-2,1,3-benzoxadiazole [ACD/IUPAC Name]
6-Bromo-4-(phénylsulfanyl)-2,1,3-benzoxadiazole [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 427.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 212.6±31.5 °C
Index of Refraction: 1.747
Molar Refractivity: 72.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1266.81
ACD/KOC (pH 5.5): 5787.87
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1266.81
ACD/KOC (pH 7.4): 5787.87
Polar Surface Area: 64 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 77.6±5.0 dyne/cm
Molar Volume: 179.3±5.0 cm3

Click to predict properties on the Chemicalize site


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