Found 27 results

Search term: MF = 'C_{12}H_{11}Br_{2}NO_{5}'
ChemSpider 2D Image | 4-{[2,4-Dibromo-6-(methoxycarbonyl)phenyl]amino}-4-oxobutanoic acid | C12H11Br2NO5

4-{[2,4-Dibromo-6-(methoxycarbonyl)phenyl]amino}-4-oxobutanoic acid

  • Molecular FormulaC12H11Br2NO5
  • Average mass409.027 Da
  • Monoisotopic mass406.900391 Da
  • ChemSpider ID38665161

More details:

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

4-{[2,4-Dibrom-6-(methoxycarbonyl)phenyl]amino}-4-oxobutansäure [German] [ACD/IUPAC Name]
4-{[2,4-Dibromo-6-(methoxycarbonyl)phenyl]amino}-4-oxobutanoic acid [ACD/IUPAC Name]
Acide 4-{[2,4-dibromo-6-(méthoxycarbonyl)phényl]amino}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-dibromo-2-[(3-carboxy-1-oxopropyl)amino]-, 1-methyl ester [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 568.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 297.4±30.1 °C
Index of Refraction: 1.631
Molar Refractivity: 78.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 5.66
ACD/KOC (pH 5.5): 60.64
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 220.4±3.0 cm3

Click to predict properties on the Chemicalize site


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