ChemSpider 2D Image | 3-Chloro-4-methylisoxazole-5-carboxylic acid | C5H4ClNO3

3-Chloro-4-methylisoxazole-5-carboxylic acid

  • Molecular FormulaC5H4ClNO3
  • Average mass161.543 Da
  • Monoisotopic mass160.987976 Da
  • ChemSpider ID21473301

More details:

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

272773-09-8 [RN]
3-Chlor-4-methyl-1,2-oxazol-5-carbonsäure [German] [ACD/IUPAC Name]
3-Chloro-4-methyl-1,2-oxazole-5-carboxylic acid [ACD/IUPAC Name]
3-Chloro-4-methylisoxazole-5-carboxylic acid
5-Isoxazolecarboxylic acid, 3-chloro-4-methyl- [ACD/Index Name]
Acide 3-chloro-4-méthyl-1,2-oxazole-5-carboxylique [French] [ACD/IUPAC Name]
3-Chloro-4-methyl-5-isoxazolecarboxylic acid
5-Carboxy-3-chloro-4-methylisoxazole
5-Carboxy-3-chloro-4-methylisoxazole, 3-Chloro-4-methyl-1,2-oxazole-5-carboxylic acid
5-Carboxy-3-chloro-4-methylisoxazole; 3-Chloro-4-methyl-1,2-oxazole-5-carboxylic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 335.0±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.0±3.0 kJ/mol
Flash Point: 156.4±26.5 °C
Index of Refraction: 1.539
Molar Refractivity: 33.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 106.2±3.0 cm3

Click to predict properties on the Chemicalize site


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