Cas no 1131587-38-6 (Methyl 5-iodo-2-(pyrrolidin-1-yl)benzoate)

Methyl 5-iodo-2-(pyrrolidin-1-yl)benzoate structure
1131587-38-6 structure
Product Name:Methyl 5-iodo-2-(pyrrolidin-1-yl)benzoate
CAS No:1131587-38-6
MF:C12H14INO2
MW:331.149535655975
CID:1030688
PubChem ID:44828950
Update Time:2025-04-20

Methyl 5-iodo-2-(pyrrolidin-1-yl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-iodo-2-(pyrrolidin-1-yl)benzoate
    • methyl 5-iodo-2-pyrrolidin-1-ylbenzoate
    • AK133665
    • CTK8E2012
    • FT-0654286
    • KB-145665
    • methyl 5-iodanyl-2-pyrrolidin-1-yl-benzoate
    • SBB068065
    • A802753
    • DTXSID80661037
    • AKOS015852277
    • Methyl5-iodo-2-(pyrrolidin-1-yl)benzoate
    • 1131587-38-6
    • DB-060291
    • Inchi: 1S/C12H14INO2/c1-16-12(15)10-8-9(13)4-5-11(10)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
    • InChI Key: AHJLRIQTVMXYOZ-UHFFFAOYSA-N
    • SMILES: IC1C=CC(=C(C(=O)OC)C=1)N1CCCC1

Computed Properties

  • Exact Mass: 331.00693g/mol
  • Monoisotopic Mass: 331.00693g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 253
  • 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: 3
  • Topological Polar Surface Area: 29.5?2

Methyl 5-iodo-2-(pyrrolidin-1-yl)benzoate Pricemore >>

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