ChemSpider 2D Image | Iobenzamic Acid | C16H13I3N2O3

Iobenzamic Acid

  • Molecular FormulaC16H13I3N2O3
  • Average mass661.999 Da
  • Monoisotopic mass661.805969 Da
  • ChemSpider ID17355

More details:






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

1560
221-484-1 [EINECS]
3115-05-7 [RN]
Acide iobenzamique [French] [INN]
Acido iobenzamico [Spanish] [INN]
acidum iobenzamicum [Latin] [INN]
F72UWG2SWK
Iobenzamic Acid [BAN] [INN] [JAN] [USAN]
N-(3-Amino-2,4,6-triiodbenzoyl)-N-phenyl-β-alanin [German] [ACD/IUPAC Name]
N-(3-Amino-2,4,6-triiodobenzoyl)-N-phenyl-β-alanine [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 2180958 [DBID]
D01313 [DBID]
ST-5066 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.3±0.1 g/cm3
Boiling Point: 702.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 378.8±32.9 °C
Index of Refraction: 1.785
Molar Refractivity: 119.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 13.96
ACD/KOC (pH 5.5): 93.92
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.62
Polar Surface Area: 84 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 79.2±3.0 dyne/cm
Molar Volume: 283.0±3.0 cm3

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