ChemSpider 2D Image | 2-(4-Bromophenyl)-5,6-dihydro-1,3-benzothiazol-7(4H)-one | C13H10BrNOS

2-(4-Bromophenyl)-5,6-dihydro-1,3-benzothiazol-7(4H)-one

  • Molecular FormulaC13H10BrNOS
  • Average mass308.194 Da
  • Monoisotopic mass306.966644 Da
  • ChemSpider ID25995438

More details:

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

1258649-65-8 [RN]
2-(4-bromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one
2-(4-Bromophenyl)-5,6-dihydro-1,3-benzothiazol-7(4H)-one [ACD/IUPAC Name]
2-(4-Bromophényl)-5,6-dihydro-1,3-benzothiazol-7(4H)-one [French] [ACD/IUPAC Name]
2-(4-Bromphenyl)-5,6-dihydro-1,3-benzothiazol-7(4H)-on [German] [ACD/IUPAC Name]
7(4H)-Benzothiazolone, 2-(4-bromophenyl)-5,6-dihydro- [ACD/Index Name]
MFCD17167162 [MDL number]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 451.8±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 227.1±29.3 °C
Index of Refraction: 1.651
Molar Refractivity: 71.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 336.48
ACD/KOC (pH 5.5): 2240.80
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 336.48
ACD/KOC (pH 7.4): 2240.81
Polar Surface Area: 58 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 196.9±3.0 cm3

Click to predict properties on the Chemicalize site


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