ChemSpider 2D Image | 2-butenedioic acid bis[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester | C22H20Cl2N2O8

2-butenedioic acid bis[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester

  • Molecular FormulaC22H20Cl2N2O8
  • Average mass511.309 Da
  • Monoisotopic mass510.059662 Da
  • ChemSpider ID4713207

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-Butènedioate de bis{2-[(3-chloro-4-méthoxyphényl)amino]-2-oxoéthyle} [French] [ACD/IUPAC Name]
2-butenedioic acid bis[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester
2-Butenedioic acid, bis[2-[(3-chloro-4-methoxyphenyl)amino]-2-oxoethyl] ester, (2E)- [ACD/Index Name]
Bis{2-[(3-chlor-4-methoxyphenyl)amino]-2-oxoethyl}-(2E)-2-butendioat [German] [ACD/IUPAC Name]
Bis{2-[(3-chloro-4-methoxyphenyl)amino]-2-oxoethyl} (2E)-2-butenedioate [ACD/IUPAC Name]
(E)-but-2-enedioic acid bis[2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester
Bis[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] (E)-but-2-enedioate

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

MLS000416385 [DBID]
SMR000264204 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 737.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 400.0±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 124.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 567.65
ACD/KOC (pH 5.5): 3258.14
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 567.48
ACD/KOC (pH 7.4): 3257.18
Polar Surface Area: 129 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 355.0±3.0 cm3

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