Cas no 160561-81-9 (3,4-difluoro-1H-Pyrrole-2-carboxylic acid)

3,4-difluoro-1H-Pyrrole-2-carboxylic acid structure
160561-81-9 structure
Product Name:3,4-difluoro-1H-Pyrrole-2-carboxylic acid
CAS No:160561-81-9
MF:C5H3F2NO2
MW:147.079628229141
MDL:MFCD11042606
CID:109530
PubChem ID:10855616
Update Time:2025-04-18

3,4-difluoro-1H-Pyrrole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3,4-difluoro-1H-Pyrrole-2-carboxylic acid
    • 1H-Pyrrole-2-carboxylicacid, 3,4-difluoro-
    • 1H-Pyrrole-2-carboxylicacid,3,4-difluoro-(9CI)
    • AKOS006309938
    • MFCD11042606
    • PB25324
    • 3,4-Difluoropyrrole-2-carboxylic Acid
    • CS-0055709
    • P11016
    • DTXSID10445948
    • ZB0311
    • 160561-81-9
    • 1H-Pyrrole-2-carboxylic acid, 3,4-difluoro-
    • 3,4-Difluoro-1H-pyrrole-2-carboxylicacid
    • SY025235
    • SCHEMBL24966986
    • DB-268200
    • MDL： MFCD11042606
    • Inchi： 1S/C5H3F2NO2/c6-2-1-8-4(3(2)7)5(9)10/h1,8H,(H,9,10)
    • InChI Key： ROPLWPKNISNOGV-UHFFFAOYSA-N
    • SMILES： FC1C(=CNC=1C(=O)O)F

Computed Properties

  • Exact Mass: 147.01318466g/mol
  • Monoisotopic Mass: 147.01318466g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 153
  • 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: 0.8
  • Topological Polar Surface Area: 53.1?2

Experimental Properties

  • Density: 1.658±0.06 g/cm3(Predicted)
  • Boiling Point: 330.4±37.0 °C(Predicted)

3,4-difluoro-1H-Pyrrole-2-carboxylic acid Pricemore >>

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