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8-Chloro-3-cyclobutyl-1-iodo-imidazo[1,5-a]pyrazine

  • Name 8-Chloro-3-cyclobutyl-1-iodo-imidazo[1,5-a]pyrazine
  • EINECSN/A
  • CAS No. 867165-15-9
  • Density2.149 g/cm3
  • PSA30.19000
  • LogP3.25480
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC10H9ClIN3
  • Boiling PointN/A
  • Molecular Weight333.559
  • Flash PointN/A
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 867165-15-9 (8-chloro-3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazine)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data5

8-Chloro-3-cyclobutyl-1-iodo-imidazo[1,5-a]pyrazine Specification

The cas number of 8-Chloro-3-cyclobutyl-1-iodo-imidazo[1,5-a]pyrazine is 867165-15-9. Its molecular formula is C10H9ClIN3. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/LogD (pH 7.4): 4.15; (5)ACD/BCF (pH 5.5): 839.479; (6)ACD/BCF (pH 7.4): 839.611; (7)ACD/KOC (pH 5.5): 4311.094; (8)ACD/KOC (pH 7.4): 4311.771; (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: 1.833; (14)Molar Refractivity: 68.298 cm3; (15)Molar Volume: 155.184 cm3; (16)Polarizability: 27.076×10-24cm3; (17)Surface Tension: 65.389 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cn2c(c(n1)Cl)c(nc2C3CCC3)I
(2)InChI: InChI=1/C10H9ClIN3/c11-8-7-9(12)14-10(6-2-1-3-6)15(7)5-4-13-8/h4-6H,1-3H2
(3)InChIKey: HITZGGXWMCCAIY-UHFFFAOYAR 

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