ChemSpider 2D Image | 2-Amino-3-cyano-4-[2-(pentyloxy)phenyl]-4H-chromen-7-yl 2-chloro-5-nitrobenzoate | C28H24ClN3O6

2-Amino-3-cyano-4-[2-(pentyloxy)phenyl]-4H-chromen-7-yl 2-chloro-5-nitrobenzoate

  • Molecular FormulaC28H24ClN3O6
  • Average mass533.960 Da
  • Monoisotopic mass533.135376 Da
  • ChemSpider ID12014592

More details:

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

2-Amino-3-cyan-4-[2-(pentyloxy)phenyl]-4H-chromen-7-yl-2-chlor-5-nitrobenzoat [German] [ACD/IUPAC Name]
2-Amino-3-cyano-4-[2-(pentyloxy)phenyl]-4H-chromen-7-yl 2-chloro-5-nitrobenzoate [ACD/IUPAC Name]
2-Chloro-5-nitrobenzoate de 2-amino-3-cyano-4-[2-(pentyloxy)phényl]-4H-chromén-7-yle [French] [ACD/IUPAC Name]
Benzoic acid, 2-chloro-5-nitro-, 2-amino-3-cyano-4-[2-(pentyloxy)phenyl]-4H-1-benzopyran-7-yl ester [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: 708.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 382.5±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 139.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.60
ACD/LogD (pH 5.5): 6.79
ACD/BCF (pH 5.5): 85528.86
ACD/KOC (pH 5.5): 117991.00
ACD/LogD (pH 7.4): 6.79
ACD/BCF (pH 7.4): 85622.63
ACD/KOC (pH 7.4): 118120.36
Polar Surface Area: 140 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 379.6±5.0 cm3

Click to predict properties on the Chemicalize site


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