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Search term: MF = 'C_{12}H_{13}N_{3}O_{3}'
ChemSpider 2D Image | 6'-Nitro-1'H-spiro[cyclopentane-1,2'-quinazolin]-4'(3'H)-one | C12H13N3O3

6'-Nitro-1'H-spiro[cyclopentane-1,2'-quinazolin]-4'(3'H)-one

  • Molecular FormulaC12H13N3O3
  • Average mass247.250 Da
  • Monoisotopic mass247.095688 Da
  • ChemSpider ID26403788

More details:

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

158439-85-1 [RN]
6'-Nitro-1'H-spiro[cyclopentane-1,2'-quinazolin]-4'(3'H)-on [German] [ACD/IUPAC Name]
6'-Nitro-1'H-spiro[cyclopentane-1,2'-quinazolin]-4'(3'H)-one [ACD/IUPAC Name]
6'-Nitro-1'H-spiro[cyclopentane-1,2'-quinazolin]-4'(3'H)-one [French] [ACD/IUPAC Name]
Spiro[cyclopentane-1,2'(1'H)-quinazolin]-4'(3'H)-one, 6'-nitro- [ACD/Index Name]
6-Nitrospiro[1,2,3,4-tetrahydroquinazoline-2,1`-cyclopentane]-4-one
6-nitrospiro[1,2,3,4-tetrahydroquinazoline-2,1’-cyclopentane]-4-one
6-Nitrospiro[1,2,3,4-tetrahydroquinazoline-2,1'-cyclopentane]-4-one
6-nitrospiro[1,3-dihydroquinazoline-2,1'-cyclopentane]-4-one
6'-nitro-Spiro[cyclopentane-1,2'(1'H)-quinazolin]-4'(3'H)-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 562.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.6±3.0 kJ/mol
    Flash Point: 294.0±30.1 °C
    Index of Refraction: 1.650
    Molar Refractivity: 63.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.38
    ACD/LogD (pH 5.5): 1.89
    ACD/BCF (pH 5.5): 16.23
    ACD/KOC (pH 5.5): 255.78
    ACD/LogD (pH 7.4): 1.89
    ACD/BCF (pH 7.4): 16.23
    ACD/KOC (pH 7.4): 255.78
    Polar Surface Area: 87 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 65.4±5.0 dyne/cm
    Molar Volume: 175.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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