ChemSpider 2D Image | 2-[(E)-2-(3-Chloro-5-fluorophenyl)vinyl]-3-nitrobenzoic acid | C15H9ClFNO4

2-[(E)-2-(3-Chloro-5-fluorophenyl)vinyl]-3-nitrobenzoic acid

  • Molecular FormulaC15H9ClFNO4
  • Average mass321.688 Da
  • Monoisotopic mass321.020416 Da
  • ChemSpider ID28558857

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(E)-2-(3-Chlor-5-fluorphenyl)vinyl]-3-nitrobenzoesäure [German] [ACD/IUPAC Name]
2-[(E)-2-(3-Chloro-5-fluorophenyl)vinyl]-3-nitrobenzoic acid [ACD/IUPAC Name]
Acide 2-[(E)-2-(3-chloro-5-fluorophényl)vinyl]-3-nitrobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(E)-2-(3-chloro-5-fluorophenyl)ethenyl]-3-nitro- [ACD/Index Name]
(E)-2-(3-Chloro-5-fluorostyryl)-3-nitrobenzoic acid
917614-70-1 [RN]
BENZOIC ACID, 2-[(1E)-2-(3-CHLORO-5-FLUOROPHENYL)ETHENYL]-3-NITRO-

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

Density: 1.5±0.1 g/cm3
Boiling Point: 489.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 249.9±28.7 °C
Index of Refraction: 1.696
Molar Refractivity: 82.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 5.87
ACD/KOC (pH 5.5): 23.94
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 1.39
ACD/KOC (pH 7.4): 5.68
Polar Surface Area: 83 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 213.2±3.0 cm3

Click to predict properties on the Chemicalize site


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