Cas no 1451393-50-2 (3-Carboxy-2-chloropyridine-5-boronic acid)

3-Carboxy-2-chloropyridine-5-boronic acid structure
1451393-50-2 structure
Product Name:3-Carboxy-2-chloropyridine-5-boronic acid
CAS No:1451393-50-2
MF:C6H5BClNO4
MW:201.372200727463
MDL:MFCD13181645
CID:4733603
Update Time:2023-08-15

3-Carboxy-2-chloropyridine-5-boronic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Carboxy-2-chloropyridine-5-boronic acid
    • 5-Borono-2-chloronicotinic acid
    • BC001626
    • Z1414
    • MDL: MFCD13181645
    • Inchi: 1S/C6H5BClNO4/c8-5-4(6(10)11)1-3(2-9-5)7(12)13/h1-2,12-13H,(H,10,11)
    • InChI Key: BYEBVRVKFQUMBP-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=O)O)C=C(B(O)O)C=N1

Computed Properties

  • Exact Mass: 201
  • Monoisotopic Mass: 201
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 203
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 90.6

3-Carboxy-2-chloropyridine-5-boronic acid Pricemore >>

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