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Search term: IOGLONDWRZETTA-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | [4-(1-Azetidinylsulfonyl)phenyl]boronic acid | C9H12BNO4S

[4-(1-Azetidinylsulfonyl)phenyl]boronic acid

  • Molecular FormulaC9H12BNO4S
  • Average mass241.072 Da
  • Monoisotopic mass241.058014 Da
  • ChemSpider ID23717585

More details:

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

(4-(Azetidin-1-ylsulfonyl)phenyl)boronic acid
[4-(1-Azetidinylsulfonyl)phenyl]boronic acid [ACD/IUPAC Name]
[4-(1-Azetidinylsulfonyl)phenyl]borsäure [German] [ACD/IUPAC Name]
871329-68-9 [RN]
Acide [4-(1-azétidinylsulfonyl)phényl]boronique [French] [ACD/IUPAC Name]
B-[4-(1-Azetidinylsulfonyl)phenyl]boronic acid
Boronic acid, B-[4-(1-azetidinylsulfonyl)phenyl]- [ACD/Index Name]
[4-(azetidine-1-sulfonyl)phenyl]boronic acid
[871329-68-9] [RN]
{4-[(Azetidin-1-Yl)sulfonyl]phenyl}boronic Acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 453.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 227.9±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 57.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.60
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 2.56
ACD/KOC (pH 5.5): 68.09
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.92
ACD/KOC (pH 7.4): 50.99
Polar Surface Area: 86 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 66.1±5.0 dyne/cm
Molar Volume: 163.7±5.0 cm3

Click to predict properties on the Chemicalize site


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