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2-(4-Bromophenyl)imidazo[1,2-a]pyrimidine

  • Name 2-(4-Bromophenyl)imidazo[1,2-a]pyrimidine
  • EINECSN/A
  • CAS No. 56921-85-8
  • Density1.58 g/cm3
  • PSA30.19000
  • LogP3.15880
  • SolubilityN/A
  • Melting Point279℃
  • FormulaC12H8BrN3
  • Boiling PointN/A
  • Molecular Weight274.12
  • Flash PointN/A
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 56921-85-8 (2-(4-Bromo-phenyl)-imidazo[1,2-a]pyrimidine)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data11

2-(4-Bromophenyl)imidazo[1,2-a]pyrimidine Specification

This chemical is called 2-(4-Bromo-phenyl)-imidazo[1,2-a]pyrimidine. With the molecular formula of C12H8BrN3, its molecular weight is 274.12. The CAS registry number of this chemical is 56921-85-8.

Other characteristics of the 2-(4-Bromo-phenyl)-imidazo[1,2-a]pyrimidine can be summarised as followings: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 205.3; (6)ACD/BCF (pH 7.4): 216.63; (7)ACD/KOC (pH 5.5): 1549.14; (8)ACD/KOC (pH 7.4): 1634.68; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 30.19 Å2; (13)Index of Refraction: 1.712; (14)Molar Refractivity: 67.82 cm3; (15)Molar Volume: 173 cm3; (16)Polarizability: 26.88×10-24cm3; (17)Surface Tension: 54.6 dyne/cm; (18)Density: 1.58 g/cm3.

You can still convert the following datas into molecular structure: 
1.SMILES: Brc3ccc(c1nc2ncccn2c1)cc3
2.InChI: InChI=1/C12H8BrN3/c13-10-4-2-9(3-5-10)11-8-16-7-1-6-14-12(16)15-11/h1-8H
3.InChIKey: MUBZZRZIBNKULO-UHFFFAOYAD

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