Found 69 results

Search term: MF = 'C_{16}H_{9}ClO_{4}'
ChemSpider 2D Image | 4-[(Z)-(5-Chloro-3-oxo-1-benzofuran-2(3H)-ylidene)methyl]benzoic acid | C16H9ClO4

4-[(Z)-(5-Chloro-3-oxo-1-benzofuran-2(3H)-ylidene)methyl]benzoic acid

  • Molecular FormulaC16H9ClO4
  • Average mass300.693 Da
  • Monoisotopic mass300.018921 Da
  • ChemSpider ID58127556

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(Z)-(5-Chlor-3-oxo-1-benzofuran-2(3H)-yliden)methyl]benzoesäure [German] [ACD/IUPAC Name]
4-[(Z)-(5-Chloro-3-oxo-1-benzofuran-2(3H)-ylidene)methyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[(Z)-(5-chloro-3-oxo-1-benzofuran-2(3H)-ylidène)méthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(Z)-(5-chloro-3-oxo-2(3H)-benzofuranylidene)methyl]- [ACD/Index Name]
4-{[(2Z)-5-CHLORO-3-OXO-1-BENZOFURAN-2-YLIDENE]METHYL}BENZOIC ACID

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

Density: 1.5±0.1 g/cm3
Boiling Point: 541.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 281.3±30.1 °C
Index of Refraction: 1.716
Molar Refractivity: 78.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 17.29
ACD/KOC (pH 5.5): 85.81
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.38
Polar Surface Area: 64 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 69.8±3.0 dyne/cm
Molar Volume: 198.3±3.0 cm3

Click to predict properties on the Chemicalize site


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