ChemSpider 2D Image | BIA | C18H12BrN3O3

BIA

  • Molecular FormulaC18H12BrN3O3
  • Average mass398.210 Da
  • Monoisotopic mass397.006195 Da
  • ChemSpider ID23317869

  • Double-bond stereo - Double-bond stereo

More details:

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

(2'Z,3'E)-6-Bromoindirubin-3'-acetoxime
(3Z)-3-[(3E)-3-(Acetoxyimino)-1,3-dihydro-2H-indol-2-yliden]-6-brom-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
(3Z)-3-[(3E)-3-(Acetoxyimino)-1,3-dihydro-2H-indol-2-ylidene]-6-bromo-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
(3Z)-3-[(3E)-3-(Acétoxyimino)-1,3-dihydro-2H-indol-2-ylidène]-6-bromo-1,3-dihydro-2H-indol-2-one [French] [ACD/IUPAC Name]
(3Z)-3-[(3E)-3-[(Acetyloxy)imino]-1,3-dihydro-2H-indol-2-ylidene]-6-bromo-1,3-dihydro-2H-Indol-2-one
(3Z)-3-{(3E)-3-[(acetyloxy)imino]-1,3-dihydro-2H-indol-2-ylidene}-6-bromo-1,3-dihydro-2H-indol-2-one
2H-Indol-2-one, 3-[(3E)-3-[(acetyloxy)imino]-1,3-dihydro-2H-indol-2-ylidene]-6-bromo-1,3-dihydro-, (3Z)- [ACD/Index Name]
667463-85-6 [RN]
6-Bromoindirubin acetoxime
6-Bromoindirubin-3'-acetoxime
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.741
Molar Refractivity: 94.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 108.32
ACD/KOC (pH 5.5): 995.48
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.76
ACD/KOC (pH 7.4): 981.13
Polar Surface Area: 80 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 60.6±7.0 dyne/cm
Molar Volume: 235.1±7.0 cm3

Click to predict properties on the Chemicalize site


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