ChemSpider 2D Image | (3-Chloro-2-cyanophenyl)boronic acid | C7H5BClNO2

(3-Chloro-2-cyanophenyl)boronic acid

  • Molecular FormulaC7H5BClNO2
  • Average mass181.384 Da
  • Monoisotopic mass181.010193 Da
  • ChemSpider ID26557596

More details:

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

(3-Chlor-2-cyanphenyl)borsäure [German] [ACD/IUPAC Name]
(3-Chloro-2-cyanophenyl)boronic acid [ACD/IUPAC Name]
1217500-67-8 [RN]
Acide (3-chloro-2-cyanophényl)boronique [French] [ACD/IUPAC Name]
B-(3-Chloro-2-cyanophenyl)boronic acid
Boronic acid, B-(3-chloro-2-cyanophenyl)- [ACD/Index Name]
(3-Chloro-2-cyanophenyl)boronicacid
[1217500-67-8] [RN]
3-chloro-2-cyanophenylboronic acid
3-chloro-2-cyanophenylboronicacid
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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: 1.4±0.1 g/cm3
    Boiling Point: 425.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.7±3.0 kJ/mol
    Flash Point: 211.0±31.5 °C
    Index of Refraction: 1.580
    Molar Refractivity: 42.7±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.59
    ACD/LogD (pH 5.5): 1.68
    ACD/BCF (pH 5.5): 11.03
    ACD/KOC (pH 5.5): 192.34
    ACD/LogD (pH 7.4): 1.15
    ACD/BCF (pH 7.4): 3.24
    ACD/KOC (pH 7.4): 56.58
    Polar Surface Area: 64 Å2
    Polarizability: 16.9±0.5 10-24cm3
    Surface Tension: 59.7±5.0 dyne/cm
    Molar Volume: 128.2±5.0 cm3

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