ChemSpider 2D Image | 4-[(2-Chlorobenzyl)oxy]-2-thiophenecarboxylic acid | C12H9ClO3S

4-[(2-Chlorobenzyl)oxy]-2-thiophenecarboxylic acid

  • Molecular FormulaC12H9ClO3S
  • Average mass268.716 Da
  • Monoisotopic mass267.996094 Da
  • ChemSpider ID35493168

More details:






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

2-Thiophenecarboxylic acid, 4-[(2-chlorophenyl)methoxy]- [ACD/Index Name]
4-[(2-Chlorbenzyl)oxy]-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-[(2-Chlorobenzyl)oxy]-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 4-[(2-chlorobenzyl)oxy]-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
1511303-44-8 [RN]
4-((2-Chlorobenzyl)oxy)thiophene-2-carboxylic acid
4-(2-Chloro-benzyloxy)-thiophene-2-carboxylic acid
4-[(2-chlorophenyl)methoxy]thiophene-2-carboxylic acid
AGN-PC-0GY690
AKOS015781648
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 447.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 224.5±25.9 °C
Index of Refraction: 1.638
Molar Refractivity: 67.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 16.92
ACD/KOC (pH 5.5): 99.29
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.44
Polar Surface Area: 75 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 188.1±3.0 cm3

Click to predict properties on the Chemicalize site






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