ChemSpider 2D Image | 2-{[(3-Bromophenyl)amino]methyl}-1,2-benzothiazol-3(2H)-one | C14H11BrN2OS

2-{[(3-Bromophenyl)amino]methyl}-1,2-benzothiazol-3(2H)-one

  • Molecular FormulaC14H11BrN2OS
  • Average mass335.219 Da
  • Monoisotopic mass333.977539 Da
  • ChemSpider ID30657714

More details:

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

1,2-Benzisothiazol-3(2H)-one, 2-[[(3-bromophenyl)amino]methyl]- [ACD/Index Name]
2-{[(3-Bromophenyl)amino]methyl}-1,2-benzothiazol-3(2H)-one [ACD/IUPAC Name]
2-{[(3-Bromophényl)amino]méthyl}-1,2-benzothiazol-3(2H)-one [French] [ACD/IUPAC Name]
2-{[(3-Bromphenyl)amino]methyl}-1,2-benzothiazol-3(2H)-on [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 519.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 268.0±32.9 °C
Index of Refraction: 1.732
Molar Refractivity: 82.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 471.43
ACD/KOC (pH 5.5): 2852.19
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 471.64
ACD/KOC (pH 7.4): 2853.47
Polar Surface Area: 58 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 66.2±3.0 dyne/cm
Molar Volume: 206.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement