ChemSpider 2D Image | 4-FLUORO-3-(METHOXY(METHYL)CARBAMOYL)PHENYLBORONIC ACID | C9H11BFNO4

4-FLUORO-3-(METHOXY(METHYL)CARBAMOYL)PHENYLBORONIC ACID

  • Molecular FormulaC9H11BFNO4
  • Average mass226.997 Da
  • Monoisotopic mass227.076523 Da
  • ChemSpider ID21469850

More details:

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

(4-Fluoro-3-(methoxy(methyl)carbamoyl)phenyl)boronic acid
{4-Fluor-3-[methoxy(methyl)carbamoyl]phenyl}borsäure [German] [ACD/IUPAC Name]
{4-Fluoro-3-[methoxy(methyl)carbamoyl]phenyl}boronic acid [ACD/IUPAC Name]
4-FLUORO-3-(METHOXY(METHYL)CARBAMOYL)PHENYLBORONIC ACID
874290-69-4 [RN]
Acide {4-fluoro-3-[méthoxy(méthyl)carbamoyl]phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-fluoro-3-[(methoxymethylamino)carbonyl]phenyl]- [ACD/Index Name]
[4-fluoro-3-[[methoxy(methyl)amino]-oxomethyl]phenyl]boronic acid
[4-Fluoro-3-[methoxy(methyl)carbamoyl]phenyl]boronic acid
[874290-69-4] [RN]
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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: 454.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 228.4±31.5 °C
Index of Refraction: 1.533
Molar Refractivity: 53.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.87
ACD/KOC (pH 5.5): 54.40
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.35
ACD/KOC (pH 7.4): 39.13
Polar Surface Area: 70 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 170.8±5.0 cm3

Click to predict properties on the Chemicalize site


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