Cas no 98704-89-3 (1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(chloroacetyl)-)

1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(chloroacetyl)- structure
98704-89-3 structure
Product Name:1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(chloroacetyl)-
CAS No:98704-89-3
MF:C12H22ClNO5
MW:295.759783267975
CID:750505
Update Time:2023-08-03

1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(chloroacetyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(chloroacetyl)-
    • 2-chloro-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone
    • Inchi: 1S/C12H22ClNO5/c13-11-12(15)14-1-3-16-5-7-18-9-10-19-8-6-17-4-2-14/h1-11H2
    • InChI Key: DAXMYSVNQAHKPV-UHFFFAOYSA-N
    • SMILES: ClCC(N1CCOCCOCCOCCOCC1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 1
  • Complexity: 226
  • Topological Polar Surface Area: 57.2
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