Found 1 result

Search term: XFZZDIHCNHYESF-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | compound I3 [PMID: 23428964] | C17H16BrNO

compound I3 [PMID: 23428964]

  • Molecular FormulaC17H16BrNO
  • Average mass330.219 Da
  • Monoisotopic mass329.041504 Da
  • ChemSpider ID26647081

More details:

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

6H-Benzocyclohepten-6-one, 7-amino-1-bromo-5,7,8,9-tetrahydro-4-phenyl- [ACD/Index Name]
7-Amino-1-brom-4-phenyl-5,7,8,9-tetrahydro-6H-benzo[7]annulen-6-on [German] [ACD/IUPAC Name]
7-Amino-1-bromo-4-phenyl-5,7,8,9-tetrahydro-6H-benzo[7]annulen-6-one [ACD/IUPAC Name]
7-Amino-1-bromo-4-phényl-5,7,8,9-tétrahydro-6H-benzo[7]annulén-6-one [French] [ACD/IUPAC Name]
compound I3 [PMID: 23428964]
7-amino-1-bromo-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 509.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 261.9±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 83.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 2.16
ACD/KOC (pH 5.5): 21.16
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 57.44
ACD/KOC (pH 7.4): 562.56
Polar Surface Area: 43 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 239.5±3.0 cm3

Click to predict properties on the Chemicalize site


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