ChemSpider 2D Image | 1-{[(7-Chloro-1,3-benzodioxol-5-yl)carbonyl]amino}cyclobutanecarboxylic acid | C13H12ClNO5

1-{[(7-Chloro-1,3-benzodioxol-5-yl)carbonyl]amino}cyclobutanecarboxylic acid

  • Molecular FormulaC13H12ClNO5
  • Average mass297.691 Da
  • Monoisotopic mass297.040405 Da
  • ChemSpider ID36657888

More details:

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

1-{[(7-Chlor-1,3-benzodioxol-5-yl)carbonyl]amino}cyclobutancarbonsäure [German] [ACD/IUPAC Name]
1-{[(7-Chloro-1,3-benzodioxol-5-yl)carbonyl]amino}cyclobutanecarboxylic acid [ACD/IUPAC Name]
Acide 1-{[(7-chloro-1,3-benzodioxol-5-yl)carbonyl]amino}cyclobutanecarboxylique [French] [ACD/IUPAC Name]
Cyclobutanecarboxylic acid, 1-[[(7-chloro-1,3-benzodioxol-5-yl)carbonyl]amino]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 466.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 236.1±28.7 °C
Index of Refraction: 1.646
Molar Refractivity: 68.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.25
ACD/LogD (pH 7.4): -2.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 71.4±5.0 dyne/cm
Molar Volume: 189.6±5.0 cm3

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