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Ethanone,1-(4-chlorophenyl)-2-(4-pyridinyl)-

  • Name Ethanone,1-(4-chlorophenyl)-2-(4-pyridinyl)-
  • EINECSN/A
  • CAS No. 58158-45-5
  • Density1.24 g/cm3
  • PSA29.96000
  • LogP3.16040
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC13H10ClNO
  • Boiling Point395.229 °C at 760 mmHg
  • Molecular Weight231.681
  • Flash Point192.828 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 58158-45-5 (1-(4-CHLORO-PHENYL)-2-PYRIDIN-4-YL-ETHANONE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data6

Ethanone,1-(4-chlorophenyl)-2-(4-pyridinyl)- Specification

The Ethanone,1-(4-chlorophenyl)-2-(4-pyridinyl)-, with the CAS registry number 4593-17-3, is also known as Acetophenone,4'-chloro-2-(4-pyridyl)- (5CI). This chemical's molecular formula is C13H10ClNO and molecular weight is 231.68. What's more, its systematic name is 1-(4-Chlorophenyl)-2-(pyridin-4-yl)ethanone.

Physical properties about Ethanone,1-(4-chlorophenyl)-2-(4-pyridinyl)-: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 26; (6)ACD/BCF (pH 7.4): 37; (7)ACD/KOC (pH 5.5): 323; (8)ACD/KOC (pH 7.4): 462; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.96 Å2; (13) Index of Refraction: 1.598; (14)Molar Refractivity: 63.755 cm3; (15) Molar Volume: 186.84 cm3; (16)Surface Tension: 49.114 dyne/cm; (17)Density: 1.24 g/cm3; (18)Flash Point: 192.828 °C; (19)Enthalpy of Vaporization: 64.536 kJ/mol; (20)Boiling Point: 395.229 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(Cl)cc1)Cc2ccncc2
(2) InChI: InChI=1/C13H10ClNO/c14-12-3-1-11(2-4-12)13(16)9-10-5-7-15-8-6-10/h1-8H,9H2
(3) InChIKey: ACXBUZADCUPLKE-UHFFFAOYAH

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