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Search term: JXONINOYTKKXQQ-CQSZACIVSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Crolibulin | C18H17BrN4O3

Crolibulin

  • Molecular FormulaC18H17BrN4O3
  • Average mass417.257 Da
  • Monoisotopic mass416.048401 Da
  • ChemSpider ID28528971

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-2,7,8-Triamino-4-(3-brom-4,5-dimethoxyphenyl)-4H-chromen-3-carbonitril [German] [ACD/IUPAC Name]
(4R)-2,7,8-Triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-chromene-3-carbonitrile [ACD/IUPAC Name]
(4R)-2,7,8-Triamino-4-(3-bromo-4,5-diméthoxyphényl)-4H-chromène-3-carbonitrile [French] [ACD/IUPAC Name]
1000852-17-4 [RN]
4H-1-Benzopyran-3-carbonitrile, 2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-, (4R)- [ACD/Index Name]
Crolibulin [INN] [USAN]
Crolibulina [Spanish] [INN]
Crolibuline [French] [INN]
Crolibulinum [Latin] [INN]
(4R)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxy-phenyl)-4H-chromene-3-carbonitrile
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EPC2407 [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 604.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 89.9±3.0 kJ/mol
    Flash Point: 319.2±31.5 °C
    Index of Refraction: 1.710
    Molar Refractivity: 100.4±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 6
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 1.36
    ACD/LogD (pH 5.5): 2.07
    ACD/BCF (pH 5.5): 21.91
    ACD/KOC (pH 5.5): 315.26
    ACD/LogD (pH 7.4): 2.08
    ACD/BCF (pH 7.4): 22.36
    ACD/KOC (pH 7.4): 321.80
    Polar Surface Area: 130 Å2
    Polarizability: 39.8±0.5 10-24cm3
    Surface Tension: 80.1±5.0 dyne/cm
    Molar Volume: 256.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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