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Search term: ZQKRBSDSEBBJFQ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-[(3-Bromobenzyl)sulfonyl]propanoic acid | C10H11BrO4S

3-[(3-Bromobenzyl)sulfonyl]propanoic acid

  • Molecular FormulaC10H11BrO4S
  • Average mass307.161 Da
  • Monoisotopic mass305.956146 Da
  • ChemSpider ID22107620

More details:

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

3-[(3-Brombenzyl)sulfonyl]propansäure [German] [ACD/IUPAC Name]
3-[(3-Bromobenzyl)sulfonyl]propanoic acid [ACD/IUPAC Name]
Acide 3-[(3-bromobenzyl)sulfonyl]propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[(3-bromophenyl)methyl]sulfonyl]- [ACD/Index Name]
1017090-62-8 [RN]
3-[(3-bromophenyl)methanesulfonyl]propanoic acid
MFCD09941790 [MDL number]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 548.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 285.4±27.3 °C
Index of Refraction: 1.594
Molar Refractivity: 63.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.24
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 187.1±3.0 cm3

Click to predict properties on the Chemicalize site


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