ChemSpider 2D Image | (3E)-7'-Bromo-3-[(2-bromoethoxy)imino]-1'H,3H-2,3'-biindol-2'-ol | C18H13Br2N3O2

(3E)-7'-Bromo-3-[(2-bromoethoxy)imino]-1'H,3H-2,3'-biindol-2'-ol

  • Molecular FormulaC18H13Br2N3O2
  • Average mass463.123 Da
  • Monoisotopic mass460.937439 Da
  • ChemSpider ID23273291

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-7'-Brom-3-[(2-bromethoxy)imino]-1'H,3H-2,3'-biindol-2'-ol [German] [ACD/IUPAC Name]
(3E)-7'-Bromo-3-[(2-bromoethoxy)imino]-1'H,3H-2,3'-biindol-2'-ol [ACD/IUPAC Name]
(3E)-7'-Bromo-3-[(2-bromoéthoxy)imino]-1'H,3H-2,3'-biindol-2'-ol [French] [ACD/IUPAC Name]
3H-Indol-3-one, 2-(7-bromo-2-hydroxy-1H-indol-3-yl)-, O-(2-bromoethyl)oxime, (3E)- [ACD/Index Name]
(2'Z,3'E)-7-bromoindirubin-3'-[O-(2-bromoethyl)oxime
CHEMBL377410
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL377410/

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

Density: 1.8±0.1 g/cm3
Boiling Point: 626.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 332.9±34.3 °C
Index of Refraction: 1.745
Molar Refractivity: 101.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6582.85
ACD/KOC (pH 5.5): 18816.22
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5687.10
ACD/KOC (pH 7.4): 16255.81
Polar Surface Area: 70 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 251.3±7.0 cm3

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