Cas no 1111085-36-9 (3,4,5-trichloro-1H-Pyrrole-2-carboxylic acid)

3,4,5-trichloro-1H-Pyrrole-2-carboxylic acid structure
1111085-36-9 structure
Product Name:3,4,5-trichloro-1H-Pyrrole-2-carboxylic acid
CAS No:1111085-36-9
MF:C5H2Cl3NO2
MW:214.433878421783
MDL:MFCD24481587
CID:1098957
PubChem ID:21525612
Update Time:2025-04-20

3,4,5-trichloro-1H-Pyrrole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3,4,5-trichloro-1H-Pyrrole-2-carboxylic acid
    • SB62667
    • 3,4,5-trichloro-1H-pyrrole-2-carboxylicacid
    • DTXSID901258394
    • F81829
    • AMY17445
    • 1111085-36-9
    • DB-151021
    • SCHEMBL11828305
    • MDL： MFCD24481587
    • Inchi： 1S/C5H2Cl3NO2/c6-1-2(7)4(8)9-3(1)5(10)11/h9H,(H,10,11)
    • InChI Key： LMXSZWFRGRIPQR-UHFFFAOYSA-N
    • SMILES： ClC1C(=C(NC=1C(=O)O)Cl)Cl

Computed Properties

  • Exact Mass: 212.915111g/mol
  • Monoisotopic Mass: 212.915111g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 177
  • 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: 2.8
  • Topological Polar Surface Area: 53.1?2

3,4,5-trichloro-1H-Pyrrole-2-carboxylic acid Pricemore >>

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