ChemSpider 2D Image | 4-amino-2-chloro-5H,6H,7H,8H-pyrimido[5,4-f][1,4]oxazepin-5-one | C7H7ClN4O2

4-amino-2-chloro-5H,6H,7H,8H-pyrimido[5,4-f][1,4]oxazepin-5-one

  • Molecular FormulaC7H7ClN4O2
  • Average mass214.609 Da
  • Monoisotopic mass214.025757 Da
  • ChemSpider ID61888739

More details:

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

2092707-33-8 [RN]
4-Amino-2-chlor-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5(6H)-on [German] [ACD/IUPAC Name]
4-amino-2-chloro-5H,6H,7H,8H-pyrimido[5,4-f][1,4]oxazepin-5-one
4-Amino-2-chloro-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5(6H)-one [ACD/IUPAC Name]
4-Amino-2-chloro-7,8-dihydropyrimido[5,4-f][1,4]oxazépin-5(6H)-one [French] [ACD/IUPAC Name]
Pyrimido[5,4-f][1,4]oxazepin-5(6H)-one, 4-amino-2-chloro-7,8-dihydro- [ACD/Index Name]
MFCD31537080

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

Density: 1.6±0.1 g/cm3
Boiling Point: 666.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 357.0±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 48.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.59
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.97
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.96
Polar Surface Area: 90 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 71.8±3.0 dyne/cm
Molar Volume: 138.3±3.0 cm3

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