Cas no 1131588-16-3 (3-Iodo-4-(pyrrolidin-1-yl)benzoic acid)

3-Iodo-4-(pyrrolidin-1-yl)benzoic acid structure
1131588-16-3 structure
Product Name:3-Iodo-4-(pyrrolidin-1-yl)benzoic acid
CAS No:1131588-16-3
MF:C11H12INO2
MW:317.122955322266
MDL:MFCD11110776
CID:1011076
PubChem ID:44828856
Update Time:2025-04-20

3-Iodo-4-(pyrrolidin-1-yl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Iodo-4-(pyrrolidin-1-yl)benzoic acid
    • 3-iodo-4-pyrrolidin-1-ylbenzoic acid
    • 1131588-16-3
    • AKOS015855949
    • DTXSID40660945
    • 3-iodo-4-(pyrrolidin-1-yl)benzoicacid
    • A802827
    • DB-057917
    • 3-iodo-4-pyrrolidin-1-yl-benzoic acid
    • MDL： MFCD11110776
    • Inchi： 1S/C11H12INO2/c12-9-7-8(11(14)15)3-4-10(9)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,14,15)
    • InChI Key： HEJDNUMEEPEOLR-UHFFFAOYSA-N
    • SMILES： IC1C=C(C(=O)O)C=CC=1N1CCCC1

Computed Properties

  • Exact Mass: 316.99128g/mol
  • Monoisotopic Mass: 316.99128g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 241
  • 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: 2.7
  • Topological Polar Surface Area: 40.5?2

3-Iodo-4-(pyrrolidin-1-yl)benzoic acid Pricemore >>

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