Cas no 1259394-65-4 ((4-((Butoxycarbonyl)amino)phenyl)boronic acid)

(4-((Butoxycarbonyl)amino)phenyl)boronic acid structure
1259394-65-4 structure
Product Name:(4-((Butoxycarbonyl)amino)phenyl)boronic acid
CAS No:1259394-65-4
MF:C11H16BNO4
MW:237.060043334961
MDL:MFCD03788409
CID:1084220
PubChem ID:17750429
Update Time:2025-08-05

(4-((Butoxycarbonyl)amino)phenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (4-((Butoxycarbonyl)amino)phenyl)boronic acid
    • [4-(butoxycarbonylamino)phenyl]boronic acid
    • AB15975
    • 4-(BUTOXYCARBONYLAMINO)PHENYLBORONIC ACID
    • 1259394-65-4
    • SCHEMBL918235
    • 4-Butoxycarbonylaminophenylboronicacid
    • 4-butoxycarbonylaminophenylboronic acid
    • 4-(N-Butoxycarbonyl)aminophenylboronic acid
    • MDL: MFCD03788409
    • Inchi: 1S/C11H16BNO4/c1-2-3-8-17-11(14)13-10-6-4-9(5-7-10)12(15)16/h4-7,15-16H,2-3,8H2,1H3,(H,13,14)
    • InChI Key: JGIBXFXNISHHTO-UHFFFAOYSA-N
    • SMILES: O(C(NC1C=CC(B(O)O)=CC=1)=O)CCCC

Computed Properties

  • Exact Mass: 237.1172382g/mol
  • Monoisotopic Mass: 237.1172382g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 7
  • Complexity: 230
  • 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: 78.8?2

Experimental Properties

  • Density: 1.18±0.1 g/cm3(Predicted)
  • pka: 8?+-.0.17(Predicted)

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