Deprecated ChemSpider Record

You have reached the page for a ChemSpider record that has been deprecated.

This page is not active and is only accessible by directly using this URL. If you have been directed here from another website or database please notify the administrator of that resource. See below for more details.

ChemSpider 2D Image | 7-ethynyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one | C17H11FN2O

7-ethynyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

  • Molecular FormulaC17H11FN2O
  • Average mass278.280 Da
  • Monoisotopic mass278.085541 Da
  • ChemSpider ID19871717

More details:

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

Density: 1.2±0.0 g/cm3
Boiling Point: 455.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 71.5±0.0 kJ/mol
Flash Point: 229.2±0.0 °C
Index of Refraction: 1.613
Molar Refractivity: 79.9±0.0 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.68
ACD/KOC (pH 5.5): 641.68
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.77
ACD/KOC (pH 7.4): 642.61
Polar Surface Area: 41 Å2
Polarizability: 31.7±0.0 10-24cm3
Surface Tension: 42.0±0.0 dyne/cm
Molar Volume: 229.5±0.0 cm3

Click to predict properties on the Chemicalize site


Advertisement