ChemSpider 2D Image | Difluoro(3-methyl-1,2-thiazol-5-yl)acetic acid | C6H5F2NO2S

Difluoro(3-methyl-1,2-thiazol-5-yl)acetic acid

  • Molecular FormulaC6H5F2NO2S
  • Average mass193.171 Da
  • Monoisotopic mass193.000900 Da
  • ChemSpider ID61308132

More details:

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

5-Isothiazoleacetic acid, α,α-difluoro-3-methyl- [ACD/Index Name]
Acide difluoro(3-méthyl-1,2-thiazol-5-yl)acétique [French] [ACD/IUPAC Name]
Difluor(3-methyl-1,2-thiazol-5-yl)essigsäure [German] [ACD/IUPAC Name]
Difluoro(3-methyl-1,2-thiazol-5-yl)acetic acid [ACD/IUPAC Name]
1860994-58-6 [RN]
2,2-difluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
MFCD31605916

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

Density: 1.5±0.1 g/cm3
Boiling Point: 206.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.8±3.0 kJ/mol
Flash Point: 78.6±27.3 °C
Index of Refraction: 1.516
Molar Refractivity: 38.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): -1.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 15.3±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 127.6±3.0 cm3

Click to predict properties on the Chemicalize site


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