ChemSpider 2D Image | tert-butyl 7-chloro-6-nitro-1,2,3,4-tetrahydroisoquinoline-2-carboxylate | C14H17ClN2O4

tert-butyl 7-chloro-6-nitro-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

  • Molecular FormulaC14H17ClN2O4
  • Average mass312.749 Da
  • Monoisotopic mass312.087677 Da
  • ChemSpider ID32780395

More details:

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

2(1H)-Isoquinolinecarboxylic acid, 7-chloro-3,4-dihydro-6-nitro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 7-chloro-6-nitro-3,4-dihydro-2(1H)-isoquinolinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-7-chlor-6-nitro-3,4-dihydro-2(1H)-isochinolincarboxylat [German] [ACD/IUPAC Name]
7-Chloro-6-nitro-3,4-dihydro-2(1H)-isoquinoléinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
912846-74-3 [RN]
tert-butyl 7-chloro-6-nitro-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
MFCD18157614
QA-0099
t-Butyl7-chloro-6-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate
tert-butyl 7-chloro-6-nitro-3,4-dihydro-1h-isoquinoline-2-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 425.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.0±3.0 kJ/mol
    Flash Point: 211.1±28.7 °C
    Index of Refraction: 1.571
    Molar Refractivity: 78.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.06
    ACD/LogD (pH 5.5): 3.79
    ACD/BCF (pH 5.5): 445.45
    ACD/KOC (pH 5.5): 2739.14
    ACD/LogD (pH 7.4): 3.79
    ACD/BCF (pH 7.4): 445.45
    ACD/KOC (pH 7.4): 2739.14
    Polar Surface Area: 75 Å2
    Polarizability: 31.0±0.5 10-24cm3
    Surface Tension: 50.5±3.0 dyne/cm
    Molar Volume: 238.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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