Cas no 644982-12-7 (Tert-Butyl 3-Fluoro-4-oxoazepane-1-carboxylate)

Tert-Butyl 3-Fluoro-4-oxoazepane-1-carboxylate structure
644982-12-7 structure
Product Name:Tert-Butyl 3-Fluoro-4-oxoazepane-1-carboxylate
CAS No:644982-12-7
MF:C11H18FNO3
MW:231.26392698288
MDL:MFCD11559002
CID:501075
PubChem ID:53415294
Update Time:2025-04-19

Tert-Butyl 3-Fluoro-4-oxoazepane-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1H-Azepine-1-carboxylicacid, 3-fluorohexahydro-4-oxo-, 1,1-dimethylethyl ester
    • tert-butyl 3-fluoro-4-oxoazepane-1-carboxylate
    • 3-fluoro-4-oxo-1-azepanecarboxylic acid tert-butyl ester
    • 3-Fluoro-4-oxoazepane-1-carboxylicacid tert-butyl ester
    • 3-fluoro-4-oxo-azepine-1-carboxylic acid tert-butyl ester
    • A834782
    • AG-G-42058
    • CTK5C1315
    • SureCN1963747
    • tert-butyl 3-fluoranyl-4-oxidanylidene-azepane-1-carboxylate
    • MFCD11559002
    • CS-0037226
    • EN300-268839
    • DTXSID30697028
    • IDKJZSHWZNDJJV-UHFFFAOYSA-N
    • SCHEMBL1963747
    • tert-butyl 3-fluoro-4-oxo-azepane-1-carboxylate
    • AKOS027255324
    • 644982-12-7
    • BS-41778
    • TERT-BUTYL3-FLUORO-4-OXOAZEPANE-1-CARBOXYLATE
    • 1H-Azepine-1-carboxylicacid,3-fluorohexahydro-4-oxo-,1,1-dimethylethyl ester
    • Tert-Butyl 3-Fluoro-4-oxoazepane-1-carboxylate
    • MDL： MFCD11559002
    • Inchi： 1S/C11H18FNO3/c1-11(2,3)16-10(15)13-6-4-5-9(14)8(12)7-13/h8H,4-7H2,1-3H3
    • InChI Key： IDKJZSHWZNDJJV-UHFFFAOYSA-N
    • SMILES： FC1C(CCCN(C(=O)OC(C)(C)C)C1)=O

Computed Properties

  • Exact Mass: 231.127
  • Monoisotopic Mass: 231.127
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 285
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 46.6A^2
  • XLogP3: 1.4

Tert-Butyl 3-Fluoro-4-oxoazepane-1-carboxylate Security Information

Tert-Butyl 3-Fluoro-4-oxoazepane-1-carboxylate Pricemore >>

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