Cas no 329-66-8 (Benzoic acid,3-amino-4-fluoro-, butyl ester)

Benzoic acid,3-amino-4-fluoro-, butyl ester structure
329-66-8 structure
Product Name:Benzoic acid,3-amino-4-fluoro-, butyl ester
CAS No:329-66-8
MF:C11H14FNO2
MW:211.232766628265
CID:293611
PubChem ID:60834868
Update Time:2025-04-19

Benzoic acid,3-amino-4-fluoro-, butyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3-amino-4-fluoro-, butyl ester
    • DTXSID801305596
    • butyl 3-amino-4-fluorobenzoate
    • 329-66-8
    • Inchi: 1S/C11H14FNO2/c1-2-3-6-15-11(14)8-4-5-9(12)10(13)7-8/h4-5,7H,2-3,6,13H2,1H3
    • InChI Key: UNKCMGRCILYGHE-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1N)C(=O)OCCCC

Computed Properties

  • Exact Mass: 211.10085685g/mol
  • Monoisotopic Mass: 211.10085685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 211
  • 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: 2.4
  • Topological Polar Surface Area: 52.3?2

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