ChemSpider 2D Image | 4-(2-Aminoethoxy)-3,5-dichlorobenzoic acid | C9H9Cl2NO3

4-(2-Aminoethoxy)-3,5-dichlorobenzoic acid

  • Molecular FormulaC9H9Cl2NO3
  • Average mass250.079 Da
  • Monoisotopic mass248.995956 Da
  • ChemSpider ID22377487

More details:

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

4-(2-Aminoethoxy)-3,5-dichlorbenzoesäure [German] [ACD/IUPAC Name]
4-(2-Aminoethoxy)-3,5-dichlorobenzoic acid [ACD/IUPAC Name]
Acide 4-(2-aminoéthoxy)-3,5-dichlorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(2-aminoethoxy)-3,5-dichloro- [ACD/Index Name]
4-[(2-amino)ethoxy]-3,5-dichlorobenzoic acid
942999-53-3 [RN]
CHEMBL401484
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL401484/
L1O

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

Density: 1.5±0.1 g/cm3
Boiling Point: 400.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 196.2±28.7 °C
Index of Refraction: 1.595
Molar Refractivity: 57.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.22
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.10
Polar Surface Area: 73 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 170.1±3.0 cm3

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