ChemSpider 2D Image | 3-(3''-Amino-5,6-difluoro-2''-methyl-3,4-dihydro-1H,2''H,3'H-dispiro[naphthalene-2,2'-indene-1',5''-[1,2,4]oxadiazol]-6'-yl)benzonitrile | C27H22F2N4O

3-(3''-Amino-5,6-difluoro-2''-methyl-3,4-dihydro-1H,2''H,3'H-dispiro[naphthalene-2,2'-indene-1',5''-[1,2,4]oxadiazol]-6'-yl)benzonitrile

  • Molecular FormulaC27H22F2N4O
  • Average mass456.487 Da
  • Monoisotopic mass456.176178 Da
  • ChemSpider ID58904605

More details:

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

3-(3''-Amino-5,6-difluoro-2''-methyl-3,4-dihydro-1H,2''H,3'H-dispiro[naphthalene-2,2'-indene-1',5''-[1,2,4]oxadiazol]-6'-yl)benzonitrile [ACD/IUPAC Name]
Benzonitrile, 3-(3''-amino-5,6-difluoro-3,4-dihydro-2''-methyldispiro[naphthalene-2(1H),2'-[1H]indene-1'(3'H),5''(2''H)-[1,2,4]oxadiazol]-6'-yl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 622.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.2±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 124.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 45.48
ACD/KOC (pH 5.5): 144.95
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 83.32
ACD/KOC (pH 7.4): 265.51
Polar Surface Area: 75 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 326.9±7.0 cm3

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