Found 147 results

Search term: MF = 'C_{12}H_{7}BrN_{2}O_{2}S'
ChemSpider 2D Image | 2-[3-(Bromomethyl)-5-isothiazolyl]-1H-isoindole-1,3(2H)-dione | C12H7BrN2O2S

2-[3-(Bromomethyl)-5-isothiazolyl]-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC12H7BrN2O2S
  • Average mass323.165 Da
  • Monoisotopic mass321.941162 Da
  • ChemSpider ID58798396

More details:

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

1258841-01-8 [RN]
1H-Isoindole-1,3(2H)-dione, 2-[3-(bromomethyl)-5-isothiazolyl]- [ACD/Index Name]
2-[3-(Brommethyl)-1,2-thiazol-5-yl]-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[3-(Bromomethyl)-1,2-thiazol-5-yl]-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-[3-(Bromométhyl)-1,2-thiazol-5-yl]-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-[3-(Bromomethyl)-5-isothiazolyl]-1H-isoindole-1,3(2H)-dione

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

Density: 1.8±0.1 g/cm3
Boiling Point: 414.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 204.6±31.5 °C
Index of Refraction: 1.727
Molar Refractivity: 71.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.87
ACD/KOC (pH 5.5): 273.84
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.92
ACD/KOC (pH 7.4): 274.65
Polar Surface Area: 79 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 79.6±3.0 dyne/cm
Molar Volume: 179.0±3.0 cm3

Click to predict properties on the Chemicalize site


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