ChemSpider 2D Image | Methyl 4-amino-3-(difluoromethoxy)benzoate | C9H9F2NO3

Methyl 4-amino-3-(difluoromethoxy)benzoate

  • Molecular FormulaC9H9F2NO3
  • Average mass217.169 Da
  • Monoisotopic mass217.055054 Da
  • ChemSpider ID26054105

More details:

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

4-Amino-3-(difluorométhoxy)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-amino-3-(difluoromethoxy)-, methyl ester [ACD/Index Name]
Methyl 4-amino-3-(difluoromethoxy)benzoate [ACD/IUPAC Name]
Methyl-4-amino-3-(difluormethoxy)benzoat [German] [ACD/IUPAC Name]
1096816-13-5 [RN]
MFCD12168763 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 326.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.8±3.0 kJ/mol
Flash Point: 151.1±26.5 °C
Index of Refraction: 1.509
Molar Refractivity: 49.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.75
ACD/KOC (pH 5.5): 190.47
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.75
ACD/KOC (pH 7.4): 190.48
Polar Surface Area: 62 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 164.9±3.0 cm3

Click to predict properties on the Chemicalize site


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