Found 19 results

Search term: MF = 'C_{21}H_{13}BrN_{2}O_{2}S'
ChemSpider 2D Image | 1-Bromo-17-(1,3-thiazol-2-yl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione | C21H13BrN2O2S

1-Bromo-17-(1,3-thiazol-2-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

  • Molecular FormulaC21H13BrN2O2S
  • Average mass437.309 Da
  • Monoisotopic mass435.988098 Da
  • ChemSpider ID80836824

More details:

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

1-Brom-17-(1,3-thiazol-2-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-16,18-dion [German] [ACD/IUPAC Name]
1-Bromo-17-(1,3-thiazol-2-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione [ACD/IUPAC Name]
1-Bromo-17-(1,3-thiazol-2-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadéca-2,4,6,9,11,13-hexaène-16,18-dione [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 571.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.4±32.9 °C
Index of Refraction: 1.757
Molar Refractivity: 105.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 875.20
ACD/KOC (pH 5.5): 4440.00
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 876.45
ACD/KOC (pH 7.4): 4446.35
Polar Surface Area: 79 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 76.5±3.0 dyne/cm
Molar Volume: 256.9±3.0 cm3

Click to predict properties on the Chemicalize site


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