Cas no 5470-78-0 (Heptane, 1-bromo-4,6-dimethyl-)

Heptane, 1-bromo-4,6-dimethyl- structure
5470-78-0 structure
Product Name:Heptane, 1-bromo-4,6-dimethyl-
CAS No:5470-78-0
MF:C9H19Br
MW:207.151162385941
CID:385606
PubChem ID:231554
Update Time:2025-04-19

Heptane, 1-bromo-4,6-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • Heptane, 1-bromo-4,6-dimethyl-
    • 1-bromo-4,6-dimethylheptane
    • DTXSID20282785
    • 5470-78-0
    • NSC27985
    • NSC-27985
    • EN300-674995
    • SCHEMBL16090914
    • Inchi: 1S/C9H19Br/c1-8(2)7-9(3)5-4-6-10/h8-9H,4-7H2,1-3H3
    • InChI Key: NCQXIMABZKXPDU-UHFFFAOYSA-N
    • SMILES: BrCCCC(C)CC(C)C

Computed Properties

  • Exact Mass: 206.06707
  • Monoisotopic Mass: 206.06701g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 69.1
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.4
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0

Heptane, 1-bromo-4,6-dimethyl- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-674995-0.05g
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