ChemSpider 2D Image | MFCD09865349 | C23H25ClO6

MFCD09865349

  • Molecular FormulaC23H25ClO6
  • Average mass432.894 Da
  • Monoisotopic mass432.133972 Da
  • ChemSpider ID22898080

  • Double-bond stereo - Double-bond stereo

More details:

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

(4-{[(2E)-4-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-buten-1-yl]oxy}-3-chlorophenyl)acetic acid [ACD/IUPAC Name]
(4-{[(2E)-4-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-buten-1-yl]oxy}-3-chlorphenyl)essigsäure [German] [ACD/IUPAC Name]
Acide (4-{[(2E)-4-(4-acétyl-3-hydroxy-2-propylphénoxy)-2-butén-1-yl]oxy}-3-chlorophényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[[(2E)-4-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-buten-1-yl]oxy]-3-chloro- [ACD/Index Name]
MFCD09865349
(4-[[4-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)-2-BUTENYL]OXY]-3-CHLOROPHENYL)ACETIC ACID

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

Density: 1.3±0.1 g/cm3
Boiling Point: 653.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 349.0±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 115.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 589.30
ACD/KOC (pH 5.5): 1439.36
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 9.81
ACD/KOC (pH 7.4): 23.97
Polar Surface Area: 93 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 343.6±3.0 cm3

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