ChemSpider 2D Image | Diatrizoic acid | C11H9I3N2O4

Diatrizoic acid

  • Molecular FormulaC11H9I3N2O4
  • Average mass613.914 Da
  • Monoisotopic mass613.769592 Da
  • ChemSpider ID2055

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Featured data source



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

117-96-4 [RN]
2,4,6-Triiodo-3,5-diacetamidobenzoic acid
204-223-6 [EINECS]
3,5-Bis(acetylamino)-2,4,6-triiodbenzolcarbonsäure [German]
3,5-bis(acetylamino)-2,4,6-triiodobenzoic acid
3,5-Diacetamido-2,4,6-triiodbenzoesäure [German] [ACD/IUPAC Name]
3,5-diacetamido-2,4,6-triiodo-benzoic acid
3,5-Diacetamido-2,4,6-triiodobenzoic acid [ACD/IUPAC Name]
acide 3,5-bis(acétylamino)-2,4,6-triiodobenzoïque [French]
Acide 3,5-diacétamido-2,4,6-triiodobenzoïque [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS155966 [DBID]
AIDS-155966 [DBID]
BRN 2225144 [DBID]
D02240 [DBID]
D9268_SIGMA [DBID]
D9809_SIAL [DBID]
HSDB 4042 [DBID]
MD-50 [DBID]
NSC 262168 [DBID]
NSC262168 [DBID]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.6±0.1 g/cm3
Boiling Point: 614.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 325.2±31.5 °C
Index of Refraction: 1.803
Molar Refractivity: 100.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.45
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 81.3±3.0 dyne/cm
Molar Volume: 234.3±3.0 cm3

Click to predict properties on the Chemicalize site





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