Found 19 results

Search term: MF = 'C_{21}H_{13}BrN_{2}O_{2}S'
ChemSpider 2D Image | N-(4-Bromo-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide | C21H13BrN2O2S

N-(4-Bromo-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide

  • Molecular FormulaC21H13BrN2O2S
  • Average mass437.309 Da
  • Monoisotopic mass435.988098 Da
  • ChemSpider ID39196041

More details:

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

9H-Xanthene-9-carboxamide, N-(4-bromo-2-benzothiazolyl)- [ACD/Index Name]
N-(4-Brom-1,3-benzothiazol-2-yl)-9H-xanthen-9-carboxamid [German] [ACD/IUPAC Name]
N-(4-Bromo-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide [ACD/IUPAC Name]
N-(4-Bromo-1,3-benzothiazol-2-yl)-9H-xanthène-9-carboxamide [French] [ACD/IUPAC Name]
N-(4-bromobenzo[d]thiazol-2-yl)-9H-xanthene-9-carboxamide

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.765
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8050.42
ACD/KOC (pH 5.5): 20568.74
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 624.99
ACD/KOC (pH 7.4): 1596.84
Polar Surface Area: 79 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 73.4±3.0 dyne/cm
Molar Volume: 268.7±3.0 cm3

Click to predict properties on the Chemicalize site


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