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3-Bromoimidazo[1,2-a]pyridine-6-carboxylic acid

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  • Name 3-Bromoimidazo[1,2-a]pyridine-6-carboxylic acid
  • EINECS604-604-1
  • CAS No. 886362-00-1
  • Density1.89 g/cm3
  • PSA54.60000
  • LogP1.79500
  • SolubilityN/A
  • Melting Point305-308°
  • FormulaC8H5BrN2O2
  • Boiling PointN/A
  • Molecular Weight241.044
  • Flash PointN/A
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 886362-00-1 (3-BROMOIMIDAZO[1,2-A]PYRIDINE-6-CARBOXYLIC ACID)
  • Hazard SymbolsN/A
  • SynonymsN/A

3-Bromoimidazo[1,2-a]pyridine-6-carboxylic acid Specification

The 3-Bromoimidazo[1,2-a]pyridine-6-carboxylic acid, with its CAS registry number 886362-00-1, has the chemical formula of C8H5BrN2O2. And its product categories are including chiral chemicals.

The characteristics of this chemical are as follows: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 43.6 ; (11)Index of Refraction: 1.728; (12)Molar Refractivity: 50.58 cm3; (13)Molar Volume: 126.9 cm3; (14)Polarizability: 20.05×10-24 cm3.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:O=C(O)c1cn2c(Br)cnc2cc1
(2)InChI:InChI=1/C8H5BrN2O2/c9-6-3-10-7-2-1-5(8(12)13)4-11(6)7/h1-4H,(H,12,13)
(3)InChIKey:VLYJTINXFYEGOO-UHFFFAOYAS

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