Found 46 results

Search term: MF = 'C_{6}H_{5}ClO_{3}S'
ChemSpider 2D Image | Methyl 5-chloro-3-oxo-2,3-dihydro-2-thiophenecarboxylate | C6H5ClO3S

Methyl 5-chloro-3-oxo-2,3-dihydro-2-thiophenecarboxylate

  • Molecular FormulaC6H5ClO3S
  • Average mass192.620 Da
  • Monoisotopic mass191.964798 Da
  • ChemSpider ID58801847

More details:

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

2-Thiophenecarboxylic acid, 5-chloro-2,3-dihydro-3-oxo-, methyl ester [ACD/Index Name]
5-Chloro-3-oxo-2,3-dihydro-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-chloro-3-oxo-2,3-dihydro-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-5-chlor-3-oxo-2,3-dihydro-2-thiophencarboxylat [German] [ACD/IUPAC Name]
953092-76-7 [RN]
methyl 5-chloro-3-hydroxythiophene-2-carboxylate
methyl 5-chloro-3-oxo-2,3-dihydrothiophene-2-carboxylate
methyl 5-chloro-3-oxo-2H-thiophene-2-carboxylate
methyl-5-chloro-3-hydroxythiophene-2- carboxylate
MFCD15071704 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 290.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.9±3.0 kJ/mol
Flash Point: 129.3±27.3 °C
Index of Refraction: 1.567
Molar Refractivity: 42.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.49
ACD/KOC (pH 5.5): 79.02
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.41
Polar Surface Area: 69 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 129.4±5.0 cm3

Click to predict properties on the Chemicalize site


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