Cas no 545424-40-6 (4-(Isoxazol-3-yl)benzaldehyde)

4-(Isoxazol-3-yl)benzaldehyde structure
4-(Isoxazol-3-yl)benzaldehyde structure
Product Name:4-(Isoxazol-3-yl)benzaldehyde
CAS No:545424-40-6
MF:C10H7NO2
MW:173.168082475662
CID:1088887
PubChem ID:22630785
Update Time:2025-04-20

4-(Isoxazol-3-yl)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-(Isoxazol-3-yl)benzaldehyde
    • SCHEMBL6847769
    • CS-0453492
    • 4-(1,2-oxazol-3-yl)benzaldehyde
    • CKXIBRZSSSCIJS-UHFFFAOYSA-N
    • 4-(3-isoxazolyl)benzaldehyde
    • 545424-40-6
    • Inchi: 1S/C10H7NO2/c12-7-8-1-3-9(4-2-8)10-5-6-13-11-10/h1-7H
    • InChI Key: CKXIBRZSSSCIJS-UHFFFAOYSA-N
    • SMILES: O1C=CC(C2C=CC(C=O)=CC=2)=N1

Computed Properties

  • Exact Mass: 173.047678466g/mol
  • Monoisotopic Mass: 173.047678466g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 176
  • 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
  • XLogP3: 1.5
  • Topological Polar Surface Area: 43.1?2

4-(Isoxazol-3-yl)benzaldehyde Pricemore >>

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