ChemSpider 2D Image | 3-Chloro-5-cyano-4-methoxybenzoic acid | C9H6ClNO3

3-Chloro-5-cyano-4-methoxybenzoic acid

  • Molecular FormulaC9H6ClNO3
  • Average mass211.602 Da
  • Monoisotopic mass211.003616 Da
  • ChemSpider ID21787676

More details:

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

3-Chlor-5-cyan-4-methoxybenzoesäure [German] [ACD/IUPAC Name]
3-Chloro-5-cyano-4-methoxybenzoic acid [ACD/IUPAC Name]
Acide 3-chloro-5-cyano-4-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-chloro-5-cyano-4-methoxy- [ACD/Index Name]
1092308-48-9 [RN]
3-Chloro-5-cyano-4-methoxy-benzoic acid
MFCD11557561

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

Density: 1.5±0.1 g/cm3
Boiling Point: 364.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.4±3.0 kJ/mol
Flash Point: 174.3±27.9 °C
Index of Refraction: 1.591
Molar Refractivity: 48.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.63
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 144.4±5.0 cm3

Click to predict properties on the Chemicalize site


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