ChemSpider 2D Image | 2-Bromo-5-{[4-hydroxy-2-(methoxycarbonyl)-1-pyrrolidinyl]sulfonyl}benzoic acid | C13H14BrNO7S

2-Bromo-5-{[4-hydroxy-2-(methoxycarbonyl)-1-pyrrolidinyl]sulfonyl}benzoic acid

  • Molecular FormulaC13H14BrNO7S
  • Average mass408.222 Da
  • Monoisotopic mass406.967438 Da
  • ChemSpider ID24398988

More details:

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

2-Brom-5-{[4-hydroxy-2-(methoxycarbonyl)-1-pyrrolidinyl]sulfonyl}benzoesäure [German] [ACD/IUPAC Name]
2-Bromo-5-{[4-hydroxy-2-(methoxycarbonyl)-1-pyrrolidinyl]sulfonyl}benzoic acid [ACD/IUPAC Name]
Acide 2-bromo-5-{[4-hydroxy-2-(méthoxycarbonyl)-1-pyrrolidinyl]sulfonyl}benzoïque [French] [ACD/IUPAC Name]
Proline, 1-[(4-bromo-3-carboxyphenyl)sulfonyl]-4-hydroxy-, methyl ester [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 581.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 305.3±32.9 °C
Index of Refraction: 1.636
Molar Refractivity: 82.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 71.8±3.0 dyne/cm
Molar Volume: 230.4±3.0 cm3

Click to predict properties on the Chemicalize site


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