Found 95 results

Search term: MF = 'C_{8}H_{6}Cl_{2}O_{3}S'
ChemSpider 2D Image | 4-(2,5-Dichloro-3-thienyl)-4-oxobutanoic acid | C8H6Cl2O3S

4-(2,5-Dichloro-3-thienyl)-4-oxobutanoic acid

  • Molecular FormulaC8H6Cl2O3S
  • Average mass253.102 Da
  • Monoisotopic mass251.941467 Da
  • ChemSpider ID11628562

More details:

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

19945-43-8 [RN]
3-Thiophenebutanoic acid, 2,5-dichloro-γ-oxo- [ACD/Index Name]
4-(2,5-Dichlor-3-thienyl)-4-oxobutansäure [German] [ACD/IUPAC Name]
4-(2,5-Dichloro-3-thienyl)-4-oxobutanoic acid [ACD/IUPAC Name]
4-(2,5-dichlorothiophen-3-yl)-4-oxobutanoic acid
Acide 4-(2,5-dichloro-3-thiényl)-4-oxobutanoïque [French] [ACD/IUPAC Name]
MFCD11642116

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

Density: 1.6±0.1 g/cm3
Boiling Point: 401.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 196.3±28.7 °C
Index of Refraction: 1.598
Molar Refractivity: 55.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 2.29
ACD/KOC (pH 5.5): 26.70
ACD/LogD (pH 7.4): -0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 162.0±3.0 cm3

Click to predict properties on the Chemicalize site


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