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

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

  • Molecular FormulaC5H4ClNO3
  • Average mass161.543 Da
  • Monoisotopic mass160.987976 Da
  • ChemSpider ID21474496

More details:

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

3357-01-5 [RN]
3-Isoxazolecarboxylic acid, 5-chloro-4-methyl- [ACD/Index Name]
5-Chlor-4-methyl-1,2-oxazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-Chloro-4-methyl-1,2-oxazole-3-carboxylic acid [ACD/IUPAC Name]
5-Chloro-4-methylisoxazole-3-carboxylic acid
Acide 5-chloro-4-méthyl-1,2-oxazole-3-carboxylique [French] [ACD/IUPAC Name]
3-Carboxy-5-chloro-4-methylisoxazole
3-Isoxazolecarboxylic acid, 5-chloro-4-methyl- (7CI,9CI)
5-Chloro-4-methyl-1,2-oxazole-3-carboxylic acid, 3-Carboxy-5-chloro-4-methylisoxazole
5-Chloro-4-methyl-1,2-oxazole-3-carboxylic acid; 3-Carboxy-5-chloro-4-methylisoxazole
More...

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

05.01.3357 [DBID]

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: 1.98
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.46
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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