ChemSpider 2D Image | MFCD11656035 | C13H11BF2O3

MFCD11656035

  • Molecular FormulaC13H11BF2O3
  • Average mass264.032 Da
  • Monoisotopic mass264.076935 Da
  • ChemSpider ID22439608

More details:

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

(2-((3,5-Difluorophenoxy)methyl)phenyl)boronic acid
{2-[(3,5-Difluorophenoxy)methyl]phenyl}boronic acid [ACD/IUPAC Name]
{2-[(3,5-Difluorphenoxy)methyl]phenyl}borsäure [German] [ACD/IUPAC Name]
1218790-92-1 [RN]
Acide {2-[(3,5-difluorophénoxy)méthyl]phényl}boronique [French] [ACD/IUPAC Name]
B-[2-[(3,5-Difluorophenoxy)methyl]phenyl]boronic acid
Boronic acid, B-[2-[(3,5-difluorophenoxy)methyl]phenyl]- [ACD/Index Name]
MFCD11656035
2-((3',5'-DIFLUOROPHENOXY)METHYL)PHENYLBORONIC ACID
2-(3,5-difluorophenoxymethyl)phenylboronic 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: 399.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 195.6±30.7 °C
Index of Refraction: 1.563
Molar Refractivity: 64.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 143.59
ACD/KOC (pH 5.5): 1217.67
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 131.24
ACD/KOC (pH 7.4): 1112.95
Polar Surface Area: 50 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 199.0±5.0 cm3

Click to predict properties on the Chemicalize site


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