Found 1 result

Search term: 1329651-19-5 (Found by synonym)
ChemSpider 2D Image | 4-Nitrophenyl 5,8,14-triazatetracyclo[10.3.1.0~2,11~.0~4,9~]hexadeca-2,4,6,8,10-pentaene-14-carboxylate | C20H16N4O4

4-Nitrophenyl 5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene-14-carboxylate

  • Molecular FormulaC20H16N4O4
  • Average mass376.365 Da
  • Monoisotopic mass376.117157 Da
  • ChemSpider ID57530469

More details:

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

4-Nitrophenyl 5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene-14-carboxylate [ACD/IUPAC Name]
4-Nitrophenyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-carboxylat [German] [ACD/IUPAC Name]
5,8,14-Triazatétracyclo[10.3.1.02,11.04,9]hexadéca-2,4,6,8,10-pentaène-14-carboxylate de 4-nitrophényle [French] [ACD/IUPAC Name]
6,10-Methano-8H-azepino[4,5-g]quinoxaline-8-carboxylic acid, 6,7,9,10-tetrahydro-, 4-nitrophenyl ester [ACD/Index Name]
1329651-19-5 [RN]
4-Nitrobenzoyl Varenicline
4-Nitrophenyl 6,7,9,10-tetrahydro-8H-6,10-methanoazepino[4,5-g]quinoxaline-8-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 599.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 316.3±30.1 °C
Index of Refraction: 1.704
Molar Refractivity: 100.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 356.20
ACD/KOC (pH 5.5): 2333.94
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 356.24
ACD/KOC (pH 7.4): 2334.25
Polar Surface Area: 101 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 72.9±3.0 dyne/cm
Molar Volume: 259.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement