Found 2 results

Search term: MF = 'C_{12}H_{7}BrO_{4}S_{2}'
ChemSpider 2D Image | 7-Bromo-4H-thieno[3,2-c]thiochromene-2-carboxylic acid 5,5-dioxide | C12H7BrO4S2

7-Bromo-4H-thieno[3,2-c]thiochromene-2-carboxylic acid 5,5-dioxide

  • Molecular FormulaC12H7BrO4S2
  • Average mass359.216 Da
  • Monoisotopic mass357.896912 Da
  • ChemSpider ID79536030

More details:

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

4H-Thieno[3,2-c][1]benzothiopyran-2-carboxylic acid, 7-bromo-, 5,5-dioxide [ACD/Index Name]
7-Brom-4H-thieno[3,2-c]thiochromen-2-carbonsäure-5,5-dioxid [German] [ACD/IUPAC Name]
7-Bromo-4H-thieno[3,2-c]thiochromene-2-carboxylic acid 5,5-dioxide [ACD/IUPAC Name]
Acide 5,5-dioxyde de 7-bromo-4H-thiéno[3,2-c]thiochromène-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 673.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 361.1±31.5 °C
Index of Refraction: 1.715
Molar Refractivity: 75.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.01
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 71.6±3.0 dyne/cm
Molar Volume: 190.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement