ChemSpider 2D Image | Diatrizoic acid | C11H9I3N2O4

Diatrizoic acid

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

More details:

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]

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

AIDS155966 [DBID]
AIDS-155966 [DBID]
BRN 2225144 [DBID]
D02240 [DBID]
HSDB 4042 [DBID]
MD-50 [DBID]
NSC 262168 [DBID]
NSC262168 [DBID]

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

Density: 2.7±0.1 g/cm3
Boiling Point: 720.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 389.4±35.7 °C
Index of Refraction: 1.790
Molar Refractivity: 97.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.53
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 66.6±7.0 dyne/cm
Molar Volume: 230.9±7.0 cm3

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