ChemSpider 2D Image | [5-(2-Cyano-5-isobutyl-1,3-thiazol-4-yl)-2-furyl]phosphonic acid | C12H13N2O4PS

[5-(2-Cyano-5-isobutyl-1,3-thiazol-4-yl)-2-furyl]phosphonic acid

  • Molecular FormulaC12H13N2O4PS
  • Average mass312.281 Da
  • Monoisotopic mass312.033356 Da
  • ChemSpider ID26391497

More details:

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

[5-(2-Cyan-5-isobutyl-1,3-thiazol-4-yl)-2-furyl]phosphonsäure [German] [ACD/IUPAC Name]
[5-(2-Cyano-5-isobutyl-1,3-thiazol-4-yl)-2-furyl]phosphonic acid [ACD/IUPAC Name]
Acide [5-(2-cyano-5-isobutyl-1,3-thiazol-4-yl)-2-furyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [5-[2-cyano-5-(2-methylpropyl)-4-thiazolyl]-2-furanyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 567.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 296.7±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 72.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): -2.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 211.3±5.0 cm3

Click to predict properties on the Chemicalize site


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