ChemSpider 2D Image | 3-(2-cyanoethyl)phenylboronic acid | C9H10BNO2

3-(2-cyanoethyl)phenylboronic acid

  • Molecular FormulaC9H10BNO2
  • Average mass174.992 Da
  • Monoisotopic mass175.080460 Da
  • ChemSpider ID26555042

More details:

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

(3-(2-Cyanoethyl)phenyl)boronic acid
[3-(2-Cyanethyl)phenyl]borsäure [German] [ACD/IUPAC Name]
[3-(2-Cyanoethyl)phenyl]boronic acid [ACD/IUPAC Name]
1218790-58-9 [RN]
3-(2-cyanoethyl)phenylboronic acid
Acide [3-(2-cyanoéthyl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-(2-cyanoethyl)phenyl]- [ACD/Index Name]
MFCD15143461 [MDL number]
(3-(2-Cyanoethyl)phenyl)boronicacid
[1218790-58-9] [RN]
More...

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: 428.6±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.1±3.0 kJ/mol
    Flash Point: 213.0±29.3 °C
    Index of Refraction: 1.541
    Molar Refractivity: 47.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.09
    ACD/LogD (pH 5.5): 1.27
    ACD/BCF (pH 5.5): 5.46
    ACD/KOC (pH 5.5): 117.28
    ACD/LogD (pH 7.4): 1.23
    ACD/BCF (pH 7.4): 4.98
    ACD/KOC (pH 7.4): 106.97
    Polar Surface Area: 64 Å2
    Polarizability: 18.7±0.5 10-24cm3
    Surface Tension: 50.3±5.0 dyne/cm
    Molar Volume: 150.0±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement