ChemSpider 2D Image | 4-Chloro-2,5-bis(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile | C17H22B2ClNO4

4-Chloro-2,5-bis(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile

  • Molecular FormulaC17H22B2ClNO4
  • Average mass361.436 Da
  • Monoisotopic mass361.142334 Da
  • ChemSpider ID21898800

More details:

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

4-Chlor-2,5-bis(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitril [German] [ACD/IUPAC Name]
4-Chloro-2,5-bis(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile [ACD/IUPAC Name]
4-Chloro-2,5-bis(5,5-diméthyl-1,3,2-dioxaborinan-2-yl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-chloro-2,5-bis(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)- [ACD/Index Name]
1,1,7-Trichloro-1-hepten-3-one [ACD/IUPAC Name]
1,1,7-TRICHLOROHEPT-1-EN-3-ONE
1072944-28-5 [RN]
4-Chlorobenzonitrile-2,5-diboronic acid neopentyl glycol ester
4-Chlorobenzonitrile-2,5-diboronicacidneopentylglycolester
BB-8590
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 505.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.5±3.0 kJ/mol
    Flash Point: 259.5±30.1 °C
    Index of Refraction: 1.516
    Molar Refractivity: 92.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations:
    ACD/LogP:
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5):
    ACD/KOC (pH 5.5):
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4):
    ACD/KOC (pH 7.4):
    Polar Surface Area: 61 Å2
    Polarizability: 36.6±0.5 10-24cm3
    Surface Tension: 40.4±5.0 dyne/cm
    Molar Volume: 305.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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