ChemSpider 2D Image | [3-(Cyclopropylsulfamoyl)phenyl]boronic acid | C9H12BNO4S

[3-(Cyclopropylsulfamoyl)phenyl]boronic acid

  • Molecular FormulaC9H12BNO4S
  • Average mass241.072 Da
  • Monoisotopic mass241.058014 Da
  • ChemSpider ID21474354

More details:

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

(3-(N-Cyclopropylsulfamoyl)phenyl)boronic acid
[3-(Cyclopropylsulfamoyl)phenyl]boronic acid [ACD/IUPAC Name]
[3-(Cyclopropylsulfamoyl)phenyl]borsäure [German] [ACD/IUPAC Name]
913835-28-6 [RN]
Acide [3-(cyclopropylsulfamoyl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-[(cyclopropylamino)sulfonyl]phenyl]- [ACD/Index Name]
(3-(N-Cyclopropylsulfamoyl)phenyl)boronicacid
(3-???(n-???cyclopropylsulfamoyl???)???phenyl)???boronic acid
[913835-28-6] [RN]
3-(Cyclopropylsulfamoyl)benzeneboronic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
NSC 118365 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 484.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 246.8±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 57.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.92
ACD/KOC (pH 5.5): 74.72
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.69
ACD/KOC (pH 7.4): 43.30
Polar Surface Area: 95 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 165.5±5.0 cm3

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