Cas no 200959-51-9 (Benzene, 4-bromo-1,2-bis(hexyloxy)-)

Benzene, 4-bromo-1,2-bis(hexyloxy)- structure
200959-51-9 structure
Product Name:Benzene, 4-bromo-1,2-bis(hexyloxy)-
CAS No:200959-51-9
MF:C18H29BrO2
MW:357.325665235519
CID:1394747
PubChem ID:85762963
Update Time:2025-04-20

Benzene, 4-bromo-1,2-bis(hexyloxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 4-bromo-1,2-bis(hexyloxy)-
    • DTXSID501301840
    • HS-3343
    • 200959-51-9
    • 4-Bromo-1,2-bis(hexyloxy)benzene
    • Inchi: 1S/C18H29BrO2/c1-3-5-7-9-13-20-17-12-11-16(19)15-18(17)21-14-10-8-6-4-2/h11-12,15H,3-10,13-14H2,1-2H3
    • InChI Key: COCCIDGDLPJWJP-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C=1)OCCCCCC)OCCCCCC

Computed Properties

  • Exact Mass: 356.13517
  • Monoisotopic Mass: 356.13509g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 12
  • Complexity: 235
  • 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: 7.2
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • PSA: 18.46
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