ChemSpider 2D Image | NS-3728 | C16H9BrF6N6O

NS-3728

  • Molecular FormulaC16H9BrF6N6O
  • Average mass495.177 Da
  • Monoisotopic mass493.992523 Da
  • ChemSpider ID32698702

More details:

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

1-[3,5-Bis(trifluormethyl)phenyl]-3-[5-brom-2-(1H-tetrazol-5-yl)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[5-bromo-2-(1H-tetrazol-5-yl)phenyl]urea [ACD/IUPAC Name]
1-[3,5-Bis(trifluorométhyl)phényl]-3-[5-bromo-2-(1H-tétrazol-5-yl)phényl]urée [French] [ACD/IUPAC Name]
265646-85-3 [RN]
3-[3,5-bis(trifluoromethyl)phenyl]-1-[5-bromo-2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]urea
NS-3728
Urea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]- [ACD/Index Name]
NS3728

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

943YH53W21 [DBID]
UNII:943YH53W21 [DBID]
UNII-943YH53W21 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 96.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.77
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 544.27
ACD/KOC (pH 5.5): 1121.41
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 212.75
ACD/KOC (pH 7.4): 438.35
Polar Surface Area: 96 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 276.3±3.0 cm3

Click to predict properties on the Chemicalize site


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