ChemSpider 2D Image | 2-Chloro-5-{[4-hydroxy-4-(1H-tetrazol-5-yl)-1-piperidinyl]sulfonyl}-3-methylbenzoic acid | C14H16ClN5O5S

2-Chloro-5-{[4-hydroxy-4-(1H-tetrazol-5-yl)-1-piperidinyl]sulfonyl}-3-methylbenzoic acid

  • Molecular FormulaC14H16ClN5O5S
  • Average mass401.825 Da
  • Monoisotopic mass401.056061 Da
  • ChemSpider ID68071799

More details:

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

2-Chlor-5-{[4-hydroxy-4-(1H-tetrazol-5-yl)-1-piperidinyl]sulfonyl}-3-methylbenzoesäure [German] [ACD/IUPAC Name]
2-Chloro-5-{[4-hydroxy-4-(1H-tetrazol-5-yl)-1-piperidinyl]sulfonyl}-3-methylbenzoic acid [ACD/IUPAC Name]
Acide 2-chloro-5-{[4-hydroxy-4-(1H-tétrazol-5-yl)-1-pipéridinyl]sulfonyl}-3-méthylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-chloro-5-[[4-hydroxy-4-(1H-tetrazol-5-yl)-1-piperidinyl]sulfonyl]-3-methyl- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 701.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 378.2±35.7 °C
Index of Refraction: 1.661
Molar Refractivity: 89.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -2.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 91.3±3.0 dyne/cm
Molar Volume: 243.1±3.0 cm3

Click to predict properties on the Chemicalize site


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