Cas no 630106-16-0 (Isoplagiochin C; 10,10',12-Trichloro)

Isoplagiochin C; 10,10',12-Trichloro structure
630106-16-0 structure
Product Name:Isoplagiochin C; 10,10',12-Trichloro
CAS No:630106-16-0
MF:C28H19Cl3O4
MW:525.807065248489
CID:6699043
Update Time:2024-03-02

Isoplagiochin C; 10,10',12-Trichloro Chemical and Physical Properties

Names and Identifiers

    • Bazzanin M
    • Isoplagiochin C; 10,10',12-Trichloro
    • Inchi: 1S/C28H19Cl3O4/c29-22-13-19-17(26(31)28(22)35)7-2-15-4-10-24(33)21(12-15)20-11-14(3-9-23(20)32)1-5-16-6-8-18(19)27(34)25(16)30/h1,3-6,8-13,32-35H,2,7H2
    • InChI Key: YRJIHLSUELLWET-UHFFFAOYSA-N
    • SMILES: OC1C2=CC(CCC3C(C4C(O)=C(Cl)C(C=CC5=CC2=C(O)C=C5)=CC=4)=CC(Cl)=C(O)C=3Cl)=CC=1

Computed Properties

  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 35
  • XLogP3: 4.861
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