Cas no 1072945-85-7 ((2-Acetamido-5-chlorophenyl)boronic acid)

(2-Acetamido-5-chlorophenyl)boronic acid structure
1072945-85-7 structure
Product Name:(2-Acetamido-5-chlorophenyl)boronic acid
CAS No:1072945-85-7
MF:C8H9BClNO3
MW:213.425961256027
MDL:MFCD11504839
CID:856975
PubChem ID:46739183
Update Time:2024-11-03

(2-Acetamido-5-chlorophenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (2-Acetamido-5-chlorophenyl)boronic acid
    • 2-Acetamido-5-chlorophenylboronic acid
    • DB-415744
    • 5-CHLORO-2-ACETAMIDOPHENYLBORONIC ACID
    • (5-chloro-2-acetamidophenyl)boronic acid
    • (2-Acetamido-5-chlorophenyl)boronicacid
    • 1072945-85-7
    • MFCD11504839
    • DTXSID20674808
    • BS-22460
    • CS-0173984
    • QKZGXHJFDCIMIN-UHFFFAOYSA-N
    • AKOS015837982
    • SCHEMBL9994898
    • B-[2-(Acetylamino)-5-chlorophenyl]boronic acid
    • 2-acetamido-5-chlorophenyl boronic acid
    • MDL： MFCD11504839
    • Inchi： 1S/C8H9BClNO3/c1-5(12)11-8-3-2-6(10)4-7(8)9(13)14/h2-4,13-14H,1H3,(H,11,12)
    • InChI Key： QKZGXHJFDCIMIN-UHFFFAOYSA-N
    • SMILES： ClC1C=CC(=C(B(O)O)C=1)NC(C)=O

Computed Properties

  • Exact Mass: 213.03600
  • Monoisotopic Mass: 213.036
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 215
  • 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: 69.6A^2

Experimental Properties

  • Density: 1.37±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (2.6 g/l) (25 o C),
  • PSA: 69.56000
  • LogP: 0.05120

(2-Acetamido-5-chlorophenyl)boronic acid Pricemore >>

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