ChemSpider 2D Image | (3-Chloro-5-isopropoxyphenyl)boronic acid | C9H12BClO3

(3-Chloro-5-isopropoxyphenyl)boronic acid

  • Molecular FormulaC9H12BClO3
  • Average mass214.454 Da
  • Monoisotopic mass214.056808 Da
  • ChemSpider ID75724912

More details:

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

(3-Chlor-5-isopropoxyphenyl)borsäure [German] [ACD/IUPAC Name]
(3-Chloro-5-isopropoxyphenyl)boronic acid [ACD/IUPAC Name]
Acide (3-chloro-5-isopropoxyphényl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-chloro-5-(1-methylethoxy)phenyl]- [ACD/Index Name]
[3-chloro-5-(propan-2-yloxy)phenyl]boronic acid
1887126-63-7 [RN]
3-chloro-5-isopropoxyphenylboronic acid
MFCD30716823

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

Density: 1.2±0.1 g/cm3
Boiling Point: 369.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 177.1±30.7 °C
Index of Refraction: 1.529
Molar Refractivity: 53.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 74.05
ACD/KOC (pH 5.5): 754.60
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 31.98
ACD/KOC (pH 7.4): 325.87
Polar Surface Area: 50 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 174.2±5.0 cm3

Click to predict properties on the Chemicalize site


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