Cas no 1704067-25-3 ((3-(4-(tert-butoxycarbonyl)piperazin-1-yl)-4,5-difluorophenyl)boronic acid)

(3-(4-(tert-butoxycarbonyl)piperazin-1-yl)-4,5-difluorophenyl)boronic acid structure
1704067-25-3 structure
Product Name:(3-(4-(tert-butoxycarbonyl)piperazin-1-yl)-4,5-difluorophenyl)boronic acid
CAS No:1704067-25-3
MF:C15H21BF2N2O4
MW:342.146051168442
MDL:MFCD28384256
CID:4611794
PubChem ID:91759121
Update Time:2024-11-01

(3-(4-(tert-butoxycarbonyl)piperazin-1-yl)-4,5-difluorophenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (3-(4-(tert-butoxycarbonyl)piperazin-1-yl)-4,5-difluorophenyl)boronic acid
    • 1-Piperazinecarboxylic acid, 4-(5-borono-2,3-difluorophenyl)-, 1-(1,1-dimethylethyl) ester
    • I12225
    • AKOS025286592
    • 3-[4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL]-4,5-DIFLUOROPHENYLBORONIC ACID
    • AB87224
    • 1704067-25-3
    • BS-41734
    • [3,4-difluoro-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid
    • MDL: MFCD28384256
    • Inchi: 1S/C15H21BF2N2O4/c1-15(2,3)24-14(21)20-6-4-19(5-7-20)12-9-10(16(22)23)8-11(17)13(12)18/h8-9,22-23H,4-7H2,1-3H3
    • InChI Key: QBIKXHHYRQYSMH-UHFFFAOYSA-N
    • SMILES: N1(C(OC(C)(C)C)=O)CCN(C2=CC(B(O)O)=CC(F)=C2F)CC1

Computed Properties

  • Exact Mass: 342.1562436g/mol
  • Monoisotopic Mass: 342.1562436g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 442
  • 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
  • Topological Polar Surface Area: 73.2?2

(3-(4-(tert-butoxycarbonyl)piperazin-1-yl)-4,5-difluorophenyl)boronic acid Pricemore >>

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