ChemSpider 2D Image | (2-Chloro-5-(ethoxycarbonyl)phenyl)boronic acid | C9H10BClO4

(2-Chloro-5-(ethoxycarbonyl)phenyl)boronic acid

  • Molecular FormulaC9H10BClO4
  • Average mass228.437 Da
  • Monoisotopic mass228.036072 Da
  • ChemSpider ID21474380

More details:

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

(2-Chloro-5-(ethoxycarbonyl)phenyl)boronic acid
[2-Chlor-5-(ethoxycarbonyl)phenyl]borsäure [German] [ACD/IUPAC Name]
[2-Chloro-5-(ethoxycarbonyl)phenyl]boronic acid [ACD/IUPAC Name]
913835-93-5 [RN]
Acide [2-chloro-5-(éthoxycarbonyl)phényl]boronique [French] [ACD/IUPAC Name]
Benzoic acid, 3-borono-4-chloro-, 1-ethyl ester
Benzoic acid, 3-borono-4-chloro-, ethyl ester [ACD/Index Name]
(2-Chloro-5-(ethoxycarbonyl)phenyl)boronicacid
(2-chloro-5-ethoxycarbonylphenyl)boronic acid
(2-Chloro-5-ethoxycarbonyl-phenyl)boronic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 394.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 192.6±30.7 °C
Index of Refraction: 1.544
Molar Refractivity: 53.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 41.86
ACD/KOC (pH 5.5): 502.63
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 23.26
ACD/KOC (pH 7.4): 279.27
Polar Surface Area: 67 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 170.6±5.0 cm3

Click to predict properties on the Chemicalize site


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