Found 1 result

Search term: 21656-26-8 (Found by approved synonym)
ChemSpider 2D Image | 3-[Acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid | C12H11I3N2O4

3-[Acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid

  • Molecular FormulaC12H11I3N2O4
  • Average mass627.940 Da
  • Monoisotopic mass627.785278 Da
  • ChemSpider ID80302

More details:

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

21656-26-8 [RN]
244-509-8 [EINECS]
3-(acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid
3-[Acetyl(methyl)amino]-2,4,6-triiod-5-(methylcarbamoyl)benzoesäure [German] [ACD/IUPAC Name]
3-[Acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid [ACD/IUPAC Name]
Acide 3-[acétyl(méthyl)amino]-2,4,6-triiodo-5-(méthylcarbamoyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]- [ACD/Index Name]
[21656-26-8] [RN]
2,4,6-TRIIODO-3-(METHYLCARBAMOYL)-5-(N-METHYLACETAMIDO)BENZOIC ACID
2,4,6-Triiodo-3-(N-methylacetamido)-5-(methylcarbamoyl)benzoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.4±0.1 g/cm3
Boiling Point: 568.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 297.9±30.1 °C
Index of Refraction: 1.736
Molar Refractivity: 104.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 71.4±3.0 dyne/cm
Molar Volume: 260.1±3.0 cm3

Click to predict properties on the Chemicalize site


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