Found 2 results

Search term: DRQPPIQAPVCVFB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-Bromo-6-[({2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}imino)methyl]-4-nitrophenol | C22H17BrN4O4

2-Bromo-6-[({2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}imino)methyl]-4-nitrophenol

  • Molecular FormulaC22H17BrN4O4
  • Average mass481.299 Da
  • Monoisotopic mass480.043304 Da
  • ChemSpider ID35361637

More details:

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

2-Brom-6-[({2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}imino)methyl]-4-nitrophenol [German] [ACD/IUPAC Name]
2-Bromo-6-[({2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}imino)methyl]-4-nitrophenol [ACD/IUPAC Name]
2-Bromo-6-[({2-[4-(diméthylamino)phényl]-1,3-benzoxazol-5-yl}imino)méthyl]-4-nitrophénol [French] [ACD/IUPAC Name]
Phenol, 2-bromo-6-[[[2-[4-(dimethylamino)phenyl]-5-benzoxazolyl]imino]methyl]-4-nitro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 608.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 321.9±31.5 °C
Index of Refraction: 1.686
Molar Refractivity: 118.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 72.09
ACD/KOC (pH 5.5): 172.53
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 15.06
ACD/KOC (pH 7.4): 36.04
Polar Surface Area: 108 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 312.6±7.0 cm3

Click to predict properties on the Chemicalize site


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