Cas no 167500-04-1 (1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethyl-)

1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethyl- structure
167500-04-1 structure
Product Name:1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethyl-
CAS No:167500-04-1
MF:C20H17I
MW:384.253457784653
CID:2781343
PubChem ID:4418062
Update Time:2025-04-21

1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • AKOS024408775
    • 1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethyl-
    • 167500-04-1
    • DTXCID60353923
    • RCL L253170
    • SCHEMBL12285691
    • DTXSID10403068
    • Inchi: 1S/C20H17I/c1-14-6-10-16(11-7-14)18-4-3-5-19(20(18)21)17-12-8-15(2)9-13-17/h3-13H,1-2H3
    • InChI Key: WJZVPEGNZWPGJE-UHFFFAOYSA-N
    • SMILES: IC1C(=CC=CC=1C1C=CC(C)=CC=1)C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 384.03750Da
  • Monoisotopic Mass: 384.03750Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 280
  • 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
  • XLogP3: 6.6
  • Topological Polar Surface Area: 0?2
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