ChemSpider 2D Image | 2-[(2-Bromo-1,3-thiazol-5-yl)methyl]-1H-isoindole-1,3(2H)-dione | C12H7BrN2O2S

2-[(2-Bromo-1,3-thiazol-5-yl)methyl]-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC12H7BrN2O2S
  • Average mass323.165 Da
  • Monoisotopic mass321.941162 Da
  • ChemSpider ID21128086

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[(2-bromo-5-thiazolyl)methyl]- [ACD/Index Name]
2-[(2-Brom-1,3-thiazol-5-yl)methyl]-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[(2-Bromo-1,3-thiazol-5-yl)methyl]-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-[(2-Bromo-1,3-thiazol-5-yl)méthyl]-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-((2-bromothiazol-5-yl)methyl)isoindoline-1,3-dione
917946-67-9 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 455.4±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 229.2±24.0 °C
Index of Refraction: 1.720
Molar Refractivity: 71.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.30
ACD/KOC (pH 5.5): 380.93
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.30
ACD/KOC (pH 7.4): 380.93
Polar Surface Area: 79 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 78.2±3.0 dyne/cm
Molar Volume: 179.8±3.0 cm3

Click to predict properties on the Chemicalize site


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