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Search term: NS(=O)(=O)Oc1ccc(cc1Cl)-c1cc(Cn2cncn2)ccc1C#N (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 3-Chloro-2'-cyano-5'-(1H-1,2,4-triazol-1-ylmethyl)-4-biphenylyl sulfamate | C16H12ClN5O3S

3-Chloro-2'-cyano-5'-(1H-1,2,4-triazol-1-ylmethyl)-4-biphenylyl sulfamate

  • Molecular FormulaC16H12ClN5O3S
  • Average mass389.816 Da
  • Monoisotopic mass389.034943 Da
  • ChemSpider ID24644610

More details:

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

3-Chlor-2'-cyan-5'-(1H-1,2,4-triazol-1-ylmethyl)-4-biphenylylsulfamat [German] [ACD/IUPAC Name]
3-Chloro-2'-cyano-5'-(1H-1,2,4-triazol-1-ylmethyl)-4-biphenylyl sulfamate [ACD/IUPAC Name]
3-Chloro-2'-Cyano-5'-(1h-1,2,4-Triazol-1-Ylmethyl)biphenyl-4-Yl Sulfamate
Sulfamate de 3-chloro-2'-cyano-5'-(1H-1,2,4-triazol-1-ylméthyl)-4-biphénylyle [French] [ACD/IUPAC Name]
Sulfamic acid, 3-chloro-2'-cyano-5'-(1H-1,2,4-triazol-1-ylmethyl)[1,1'-biphenyl]-4-yl ester [ACD/Index Name]
MS4

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

Density: 1.5±0.1 g/cm3
Boiling Point: 680.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.1±34.3 °C
Index of Refraction: 1.699
Molar Refractivity: 98.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 17.47
ACD/KOC (pH 5.5): 243.25
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.05
Polar Surface Area: 132 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 65.9±7.0 dyne/cm
Molar Volume: 254.4±7.0 cm3

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