ChemSpider 2D Image | 3-(2,2,2-TRIFLUOROETHOXY)PHENYLBORONIC ACID | C8H8BF3O3

3-(2,2,2-TRIFLUOROETHOXY)PHENYLBORONIC ACID

  • Molecular FormulaC8H8BF3O3
  • Average mass219.954 Da
  • Monoisotopic mass220.051865 Da
  • ChemSpider ID23717594

More details:

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

[3-(2,2,2-Trifluorethoxy)phenyl]borsäure [German] [ACD/IUPAC Name]
[3-(2,2,2-Trifluoroethoxy)phenyl]boronic acid [ACD/IUPAC Name]
3-(2,2,2-TRIFLUOROETHOXY)PHENYLBORONIC ACID
850593-08-7 [RN]
Acide [3-(2,2,2-trifluoroéthoxy)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-(2,2,2-trifluoroethoxy)phenyl]- [ACD/Index Name]
MFCD07363846 [MDL number]
(3-(2,2,2-Trifluoroethoxy)phenyl)boronic acid
(3-(2,2,2-Trifluoroethoxy)phenyl)boronicacid
[850593-08-7] [RN]
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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: 306.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.8±3.0 kJ/mol
Flash Point: 139.4±30.7 °C
Index of Refraction: 1.463
Molar Refractivity: 44.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.88
ACD/KOC (pH 5.5): 273.82
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 13.47
ACD/KOC (pH 7.4): 206.31
Polar Surface Area: 50 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 35.0±5.0 dyne/cm
Molar Volume: 162.0±5.0 cm3

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