Cas no 1131587-88-6 (Methyl 5-bromo-2-(pyrrolidin-1-yl)benzoate)

Methyl 5-bromo-2-(pyrrolidin-1-yl)benzoate structure
1131587-88-6 structure
Product Name:Methyl 5-bromo-2-(pyrrolidin-1-yl)benzoate
CAS No:1131587-88-6
MF:C12H14BrNO2
MW:284.149062633514
CID:1030526
PubChem ID:44828927
Update Time:2025-04-20

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

Names and Identifiers

    • Methyl 5-bromo-2-(pyrrolidin-1-yl)benzoate
    • methyl 5-bromo-2-pyrrolidin-1-ylbenzoate
    • AK133845
    • CTK8E2057
    • FT-0657411
    • KB-145648
    • methyl 5-bromanyl-2-pyrrolidin-1-yl-benzoate
    • SBB068040
    • DB-060323
    • A802799
    • A1-39341
    • Methyl5-bromo-2-(pyrrolidin-1-yl)benzoate
    • DTXSID00661014
    • AKOS015852224
    • 1131587-88-6
    • Inchi: 1S/C12H14BrNO2/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: RJTFAWJIRCCGDL-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C(=O)OC)C=1)N1CCCC1

Computed Properties

  • Exact Mass: 283.02079g/mol
  • Monoisotopic Mass: 283.02079g/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: 3.1
  • Topological Polar Surface Area: 29.5?2

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

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