Cas no 128399-19-9 (4-(1,3,6,2-Dioxazaborocan-2-yl)benzaldehyde)

4-(1,3,6,2-Dioxazaborocan-2-yl)benzaldehyde structure
128399-19-9 structure
Product Name:4-(1,3,6,2-Dioxazaborocan-2-yl)benzaldehyde
CAS No:128399-19-9
MF:C11H14BNO3
MW:219.044763088226
CID:2769541
PubChem ID:14462846
Update Time:2025-04-21

4-(1,3,6,2-Dioxazaborocan-2-yl)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • DTXSID50560644
    • 4-(1,3,6,2-Dioxazaborocan-2-yl)benzaldehyde
    • 128399-19-9
    • Inchi: 1S/C11H14BNO3/c14-9-10-1-3-11(4-2-10)12-15-7-5-13-6-8-16-12/h1-4,9,13H,5-8H2
    • InChI Key: OEMYEPMHTILVIM-UHFFFAOYSA-N
    • SMILES: O1B(C2C=CC(C=O)=CC=2)OCCNCC1

Computed Properties

  • Exact Mass: 219.1066735Da
  • Monoisotopic Mass: 219.1066735Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 211
  • 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: 47.6?2
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