Cas no 1638329-69-7 (3-(Isopropoxycarbonyl)aminophenylboronic acid)

3-(Isopropoxycarbonyl)aminophenylboronic acid structure
1638329-69-7 structure
Product Name:3-(Isopropoxycarbonyl)aminophenylboronic acid
CAS No:1638329-69-7
MF:C10H14BNO4
MW:223.033463001251
MDL:MFCD22375024
CID:4610113
PubChem ID:74788655
Update Time:2024-11-06

3-(Isopropoxycarbonyl)aminophenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • 3-[(Isopropoxycarbonyl)amino]phenylboronic acid
    • (3-((Isopropoxycarbonyl)amino)phenyl)boronic acid
    • {3-[(Isopropoxycarbonyl)amino]phenyl}boronic acid
    • Y2454
    • [3-(propan-2-yloxycarbonylamino)phenyl]boronic acid
    • MFCD22375024
    • (3-((Isopropoxycarbonyl)amino)phenyl)boronicacid
    • E84503
    • SB79978
    • BS-31186
    • (3-{[(propan-2-yloxy)carbonyl]amino}phenyl)boronic acid
    • CS-0178724
    • 1638329-69-7
    • 3-(Isopropoxycarbonyl)aminophenylboronic acid
    • MDL： MFCD22375024
    • Inchi： 1S/C10H14BNO4/c1-7(2)16-10(13)12-9-5-3-4-8(6-9)11(14)15/h3-7,14-15H,1-2H3,(H,12,13)
    • InChI Key： BYJOHPRULZBYSR-UHFFFAOYSA-N
    • SMILES： O(C(NC1C=CC=C(B(O)O)C=1)=O)C(C)C

Computed Properties

  • Exact Mass: 223.1015881g/mol
  • Monoisotopic Mass: 223.1015881g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 235
  • 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

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