ChemSpider 2D Image | Methyl 4,5-diamino-2-anilino-3-fluorobenzoate | C14H14FN3O2

Methyl 4,5-diamino-2-anilino-3-fluorobenzoate

  • Molecular FormulaC14H14FN3O2
  • Average mass275.278 Da
  • Monoisotopic mass275.106995 Da
  • ChemSpider ID26496311

More details:

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

4,5-Diamino-2-anilino-3-fluorobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4,5-diamino-3-fluoro-2-(phenylamino)-, methyl ester [ACD/Index Name]
Methyl 4,5-diamino-2-anilino-3-fluorobenzoate [ACD/IUPAC Name]
Methyl-4,5-diamino-2-anilino-3-fluorbenzoat [German] [ACD/IUPAC Name]
[606144-42-7] [RN]
1-(Pyridin-3-ylmethyl)-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
4,5-Diamino-3-fluoro-2-phenylaminobenzoic acid methyl ester
606144-42-7 [RN]
CS-13746
methyl 4,5-diamino-3-fluoro-2-(phenylamino)benzoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 448.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 224.9±28.7 °C
Index of Refraction: 1.674
Molar Refractivity: 75.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.14
ACD/KOC (pH 5.5): 823.46
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.24
ACD/KOC (pH 7.4): 824.51
Polar Surface Area: 90 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 202.1±3.0 cm3

Click to predict properties on the Chemicalize site


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