Cas no 1215865-63-6 (2-Bromo-7-iodo-9H-Xanthen-9-one)

2-Bromo-7-iodo-9H-Xanthen-9-one structure
1215865-63-6 structure
Product Name:2-Bromo-7-iodo-9H-Xanthen-9-one
CAS No:1215865-63-6
MF:C13H6BrIO2
MW:400.994015216827
CID:2121918
Update Time:2023-08-04

2-Bromo-7-iodo-9H-Xanthen-9-one Chemical and Physical Properties

Names and Identifiers

    • 2-bromo-7-iodo-9H-Xanthen-9-one
    • VUXRZROJBQEDSG-UHFFFAOYSA-N
    • 2-Bromo-7-iodo-9H-Xanthen-9-one
    • Inchi: 1S/C13H6BrIO2/c14-7-1-3-11-9(5-7)13(16)10-6-8(15)2-4-12(10)17-11/h1-6H
    • InChI Key: VUXRZROJBQEDSG-UHFFFAOYSA-N
    • SMILES: IC1C=CC2=C(C=1)C(C1C=C(C=CC=1O2)Br)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 0
  • Complexity: 323
  • XLogP3: 4.9
  • Topological Polar Surface Area: 26.3
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