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Search term: PFYMIHYPOALEED-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-Chloro-2-hydroxy-5-(phenylethynyl)benzoic acid | C15H9ClO3

3-Chloro-2-hydroxy-5-(phenylethynyl)benzoic acid

  • Molecular FormulaC15H9ClO3
  • Average mass272.683 Da
  • Monoisotopic mass272.024017 Da
  • ChemSpider ID26355423

More details:

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

3-Chlor-2-hydroxy-5-(phenylethinyl)benzoesäure [German] [ACD/IUPAC Name]
3-Chloro-2-hydroxy-5-(phenylethynyl)benzoic acid [ACD/IUPAC Name]
Acide 3-chloro-2-hydroxy-5-(phényléthynyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-chloro-2-hydroxy-5-(2-phenylethynyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 458.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 231.1±28.7 °C
Index of Refraction: 1.698
Molar Refractivity: 71.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 5.20
ACD/KOC (pH 5.5): 14.98
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 4.54
ACD/KOC (pH 7.4): 13.09
Polar Surface Area: 58 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 185.0±5.0 cm3

Click to predict properties on the Chemicalize site


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