ChemSpider 2D Image | 2-{2-[(2-Cyanoethyl)amino]-2-oxoethoxy}-5-iodobenzoic acid | C12H11IN2O4

2-{2-[(2-Cyanoethyl)amino]-2-oxoethoxy}-5-iodobenzoic acid

  • Molecular FormulaC12H11IN2O4
  • Average mass374.131 Da
  • Monoisotopic mass373.976349 Da
  • ChemSpider ID34460640

More details:

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

2-{2-[(2-Cyanethyl)amino]-2-oxoethoxy}-5-iodbenzoesäure [German] [ACD/IUPAC Name]
2-{2-[(2-Cyanoethyl)amino]-2-oxoethoxy}-5-iodobenzoic acid [ACD/IUPAC Name]
Acide 2-{2-[(2-cyanoéthyl)amino]-2-oxoéthoxy}-5-iodobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[2-[(2-cyanoethyl)amino]-2-oxoethoxy]-5-iodo- [ACD/Index Name]
2-{[(2-cyanoethyl)carbamoyl]methoxy}-5-iodobenzoic acid

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

Density: 1.8±0.1 g/cm3
Boiling Point: 644.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.7±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 74.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 213.4±3.0 cm3

Click to predict properties on the Chemicalize site


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