ChemSpider 2D Image | tert-butyl 8-chloro-2,3-dihydropyrido[3,2-f][1,4]oxazepine-4(5H)-carboxylate | C13H17ClN2O3

tert-butyl 8-chloro-2,3-dihydropyrido[3,2-f][1,4]oxazepine-4(5H)-carboxylate

  • Molecular FormulaC13H17ClN2O3
  • Average mass284.739 Da
  • Monoisotopic mass284.092773 Da
  • ChemSpider ID25948229

More details:

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

2-Methyl-2-propanyl 8-chloro-2,3-dihydropyrido[3,2-f][1,4]oxazepine-4(5H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-8-chlor-2,3-dihydropyrido[3,2-f][1,4]oxazepin-4(5H)-carboxylat [German] [ACD/IUPAC Name]
8-Chloro-2,3-dihydropyrido[3,2-f][1,4]oxazépine-4(5H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
956434-30-3 [RN]
Pyrido[3,2-f]-1,4-oxazepine-4(5H)-carboxylic acid, 8-chloro-2,3-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl 8-chloro-2,3-dihydropyrido[3,2-f][1,4]oxazepine-4(5H)-carboxylate
[956434-30-3] [RN]
DS-17094
MFCD11113071 [MDL number]
tert-butyl 8-chloro-2H,3H,4H,5H-pyrido[3,2-f][1,4]oxazepine-4-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 400.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.1±3.0 kJ/mol
    Flash Point: 196.0±28.7 °C
    Index of Refraction: 1.537
    Molar Refractivity: 71.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.64
    ACD/LogD (pH 5.5): 2.74
    ACD/BCF (pH 5.5): 71.71
    ACD/KOC (pH 5.5): 741.06
    ACD/LogD (pH 7.4): 2.74
    ACD/BCF (pH 7.4): 71.71
    ACD/KOC (pH 7.4): 741.06
    Polar Surface Area: 52 Å2
    Polarizability: 28.3±0.5 10-24cm3
    Surface Tension: 45.7±3.0 dyne/cm
    Molar Volume: 228.5±3.0 cm3

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