Cas no 168102-05-4 (ethyl 3-fluoro-1H-pyrrole-2-carboxylate)

ethyl 3-fluoro-1H-pyrrole-2-carboxylate structure
168102-05-4 structure
Product Name:ethyl 3-fluoro-1H-pyrrole-2-carboxylate
CAS No:168102-05-4
MF:C7H8FNO2
MW:157.142325401306
MDL:MFCD11042605
CID:111066
PubChem ID:10057761
Update Time:2025-04-18

ethyl 3-fluoro-1H-pyrrole-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 3-fluoro-1H-Pyrrole-2-carboxylic acid ethyl ester
    • 1H-Pyrrole-2-carboxylicacid, 3-fluoro-, ethyl ester
    • Ethyl 3-fluoro-1H-pyrrole-2-carboxylate
    • AK-72738
    • AM806766
    • ANW-68692
    • CTK8C2621
    • ETHYL 3-FLUOROPYRROLE-2-CARBOXYLATE
    • MolPort-004-781-274
    • PB32900
    • Ethyl 3-fluoropyrrole-2-c...
    • 1H-Pyrrole-2-carboxylicacid,3-fluoro-,ethylester(9CI)
    • A857513
    • DS-15235
    • XKAWEJUJIOUTRS-UHFFFAOYSA-N
    • DTXSID70434813
    • 1H-Pyrrole-2-carboxylic acid, 3-fluoro-, ethyl ester
    • BCP13623
    • Not available;Ethyl 3-Fluoropyrrole-2-carboxylate
    • AKOS006309937
    • MFCD11042605
    • ETHYL3-FLUOROPYRROLE-2-CARBOXYLATE
    • SCHEMBL16236949
    • SY016063
    • 168102-05-4
    • CS-W004237
    • P11015
    • BBL103512
    • STL557322
    • DB-114487
    • ethyl 3-fluoro-1H-pyrrole-2-carboxylate
    • MDL: MFCD11042605
    • Inchi: 1S/C7H8FNO2/c1-2-11-7(10)6-5(8)3-4-9-6/h3-4,9H,2H2,1H3
    • InChI Key: XKAWEJUJIOUTRS-UHFFFAOYSA-N
    • SMILES: FC1C=CNC=1C(=O)OCC

Computed Properties

  • Exact Mass: 157.05390666g/mol
  • Monoisotopic Mass: 157.05390666g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 151
  • 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: 1.4
  • Topological Polar Surface Area: 42.1?2

ethyl 3-fluoro-1H-pyrrole-2-carboxylate Security Information

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