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Search term: RQPWUOCYWXLJTA-UHFFFAOYSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 5-Chloro-4-hydroxy-4'-isobutyl-3-biphenylcarboxylic acid | C17H17ClO3

5-Chloro-4-hydroxy-4'-isobutyl-3-biphenylcarboxylic acid

  • Molecular FormulaC17H17ClO3
  • Average mass304.768 Da
  • Monoisotopic mass304.086609 Da
  • ChemSpider ID26348520

More details:






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

[1,1'-Biphenyl]-3-carboxylic acid, 5-chloro-4-hydroxy-4'-(2-methylpropyl)- [ACD/Index Name]
5-Chlor-4-hydroxy-4'-isobutyl-3-biphenylcarbonsäure [German] [ACD/IUPAC Name]
5-Chloro-4-hydroxy-4'-isobutyl-3-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 5-chloro-4-hydroxy-4'-isobutyl-3-biphénylcarboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 439.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 219.4±28.7 °C
Index of Refraction: 1.599
Molar Refractivity: 83.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.77
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 21.10
ACD/KOC (pH 5.5): 41.20
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 17.91
ACD/KOC (pH 7.4): 34.95
Polar Surface Area: 58 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 243.8±3.0 cm3

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