ChemSpider 2D Image | (6-Chloro-3-pyridinyl)methyl trihydrogen diphosphate | C6H8ClNO7P2

(6-Chloro-3-pyridinyl)methyl trihydrogen diphosphate

  • Molecular FormulaC6H8ClNO7P2
  • Average mass303.531 Da
  • Monoisotopic mass302.946442 Da
  • ChemSpider ID31120744

More details:

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

(6-Chlor-3-pyridinyl)methyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
(6-Chloro-3-pyridinyl)methyl trihydrogen diphosphate [ACD/IUPAC Name]
(6-Chloropyridin-3-Yl)methyl Trihydrogen Diphosphate
Diphosphoric acid, mono[(6-chloro-3-pyridinyl)methyl] ester [ACD/Index Name]
Trihydrogénodiphosphate de (6-chloro-3-pyridinyl)méthyle [French] [ACD/IUPAC Name]
({[(6-chloropyridin-3-yl)methoxy](hydroxy)phosphoryl}oxy)phosphonic acid
1227924-69-7 [RN]
2E7

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

Density: 1.8±0.1 g/cm3
Boiling Point: 561.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 293.1±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 56.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.88
ACD/LogD (pH 5.5): -6.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 90.9±3.0 dyne/cm
Molar Volume: 164.5±3.0 cm3

Click to predict properties on the Chemicalize site


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