Found 46 results

Search term: MF = 'C_{6}H_{5}ClO_{3}S'
ChemSpider 2D Image | 5-Chloro-4-(hydroxymethyl)-2-thiophenecarboxylic acid | C6H5ClO3S

5-Chloro-4-(hydroxymethyl)-2-thiophenecarboxylic acid

  • Molecular FormulaC6H5ClO3S
  • Average mass192.620 Da
  • Monoisotopic mass191.964798 Da
  • ChemSpider ID44803494

More details:

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

2-Thiophenecarboxylic acid, 5-chloro-4-(hydroxymethyl)- [ACD/Index Name]
5-Chlor-4-(hydroxymethyl)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-Chloro-4-(hydroxymethyl)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-chloro-4-(hydroxyméthyl)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
1557266-12-2 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 387.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 188.1±27.9 °C
Index of Refraction: 1.653
Molar Refractivity: 42.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.25
ACD/LogD (pH 7.4): -1.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 86 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 72.5±3.0 dyne/cm
Molar Volume: 117.2±3.0 cm3

Click to predict properties on the Chemicalize site


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