ChemSpider 2D Image | 4-Chloro-5-methyl-1,2-oxazole-3-carboxylic acid | C5H4ClNO3

4-Chloro-5-methyl-1,2-oxazole-3-carboxylic acid

  • Molecular FormulaC5H4ClNO3
  • Average mass161.543 Da
  • Monoisotopic mass160.987976 Da
  • ChemSpider ID24214626

More details:

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

3-Isoxazolecarboxylic acid, 4-chloro-5-methyl- [ACD/Index Name]
4-Chlor-5-methyl-1,2-oxazol-3-carbonsäure [German] [ACD/IUPAC Name]
4-Chloro-5-methyl-1,2-oxazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 4-chloro-5-méthyl-1,2-oxazole-3-carboxylique [French] [ACD/IUPAC Name]
3-ISOXAZOLECARBOXYLIC ACID 4-CHLORO-5-METHYL-
3-Isoxazolecarboxylic acid, 4-chloro-5-methyl- (9CI)
4-chloro-5-methylisoxazole-3-carboxylic acid
524729-12-2 [RN]
MFCD18818563

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

Density: 1.5±0.1 g/cm3
Boiling Point: 330.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.5±3.0 kJ/mol
Flash Point: 153.8±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: 0.82
ACD/LogD (pH 5.5): -1.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.96
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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