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1H-Indazole, 5-bromo-3-ethyl-

  • Name 1H-Indazole, 5-bromo-3-ethyl-
  • EINECSN/A
  • CAS No. 864774-67-4
  • Density1.562 g/cm3
  • PSA28.68000
  • LogP2.88780
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC9H9BrN2
  • Boiling Point350.923 °C at 760 mmHg
  • Molecular Weight225.088
  • Flash Point166.033 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 864774-67-4 (5-BROMO-3-ETHYL-1H-INDAZOLE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data14

1H-Indazole, 5-bromo-3-ethyl- Specification

This chemical is called 1H-Indazole, 5-bromo-3-ethyl-, and its systematic name is 5-Bromo-3-ethyl-1H-indazole. With the molecular formula of C9H9BrN2, its molecular weight is 225.09. The CAS registry number of this chemical is 864774-67-4.

Other characteristics of the 1H-Indazole, 5-bromo-3-ethyl- can be summarised as followings: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.908; (4)ACD/LogD (pH 7.4): 2.908; (5)ACD/BCF (pH 5.5): 95.585; (6)ACD/BCF (pH 7.4): 95.587; (7)ACD/KOC (pH 5.5): 910.267; (8)ACD/KOC (pH 7.4): 910.289; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 28.68 Å2; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 53.859 cm3; (15)Molar Volume: 144.097 cm3; (16)Polarizability: 21.351×10-24cm3; (17)Surface Tension: 54.739 dyne/cm; (18)Density: 1.562 g/cm3; (19)Flash Point: 166.033 °C; (20)Enthalpy of Vaporization: 57.206 kJ/mol; (21)Boiling Point: 350.923 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: CCc1c2cc(ccc2[nH]n1)Br
2.InChI: InChI=1/C9H9BrN2/c1-2-8-7-5-6(10)3-4-9(7)12-11-8/h3-5H,2H2,1H3,(H,11,12)
3.InChIKey: ULRBCMBSTWUHPK-UHFFFAOYAC

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