ChemSpider 2D Image | (3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE | C17H13BrN3O3

(3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE

  • Molecular FormulaC17H13BrN3O3
  • Average mass387.208 Da
  • Monoisotopic mass386.014557 Da
  • ChemSpider ID20482197

  • Charge - Charge

More details:

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

(3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE
(3-{5-[Ammonio(imino)methyl]-1H-indol-2-yl}-5-brom-4-oxidophenyl)acetat [German] [ACD/IUPAC Name]
(3-{5-[Ammonio(imino)methyl]-1H-indol-2-yl}-5-bromo-4-oxidophenyl)acetate [ACD/IUPAC Name]
(3-{5-[Ammonio(imino)méthyl]-1H-indol-2-yl}-5-bromo-4-oxydophényl)acétate [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-[5-(aminoiminomethyl)-1H-indol-2-yl]-5-bromo-4-hydroxy-, inner salt, ion(1-) [ACD/Index Name]
2-(3-{5-[amino(iminiumyl)methyl]indol-2-yl}-5-bromo-4-oxidophenyl)acetate
CRA_9678

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

Density:
Boiling Point: 617.0±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: 327.0±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.55
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.26
Polar Surface Area: 131 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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