Cas no 156395-08-3 (5-fluoro-1H-Pyrrole-2-carboxaldehyde)

5-fluoro-1H-Pyrrole-2-carboxaldehyde structure
156395-08-3 structure
Product Name:5-fluoro-1H-Pyrrole-2-carboxaldehyde
CAS No:156395-08-3
MF:C5H4FNO
MW:113.089764595032
CID:1106869
PubChem ID:77231574
Update Time:2025-04-20

5-fluoro-1H-Pyrrole-2-carboxaldehyde Chemical and Physical Properties

Names and Identifiers

    • 5-fluoro-1H-Pyrrole-2-carboxaldehyde
    • 5-fluoro-1H-pyrrole-2-carbaldehyde
    • 156395-08-3
    • DA-16954
    • Inchi: 1S/C5H4FNO/c6-5-2-1-4(3-8)7-5/h1-3,7H
    • InChI Key: XLVPYILAGRFONZ-UHFFFAOYSA-N
    • SMILES: FC1=CC=C(C=O)N1

Computed Properties

  • Exact Mass: 113.02772
  • Monoisotopic Mass: 113.027691913g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 96.4
  • 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: 0.9
  • Topological Polar Surface Area: 32.9?2

Experimental Properties

  • PSA: 32.86
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