Cas no 1312921-23-5 ((4-Chloro-2-nitrophenyl)boronic acid)

(4-Chloro-2-nitrophenyl)boronic acid structure
1312921-23-5 structure
Product Name:(4-Chloro-2-nitrophenyl)boronic acid
CAS No:1312921-23-5
MF:C6H5BClNO4
MW:201.372200727463
CID:6626008
PubChem ID:82070641
Update Time:2024-11-07

(4-Chloro-2-nitrophenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • Boronic acid, B-(4-chloro-2-nitrophenyl)-
    • 4-Chloro-2-nitrophenylboronic acid
    • 1312921-23-5
    • EN300-2424556
    • DTXSID201273076
    • (4-chloro-2-nitrophenyl)boronic acid
    • G69213
    • (4-Chloro-2-nitrophenyl)boronic acid
    • Inchi: 1S/C6H5BClNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3,10-11H
    • InChI Key: ASHCGGVQMXSLCS-UHFFFAOYSA-N
    • SMILES: B(C1=CC=C(Cl)C=C1[N+]([O-])=O)(O)O

Computed Properties

  • Exact Mass: 201.0000155g/mol
  • Monoisotopic Mass: 201.0000155g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 198
  • 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: 86.3?2

Experimental Properties

  • Density: 1.54±0.1 g/cm3(Predicted)
  • Boiling Point: 381.3±52.0 °C(Predicted)
  • pka: 7.70±0.53(Predicted)

(4-Chloro-2-nitrophenyl)boronic acid Pricemore >>

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