Cas no 100614-10-6 (Hexyl 5-bromo-2-hydroxybenzoate)

Hexyl 5-bromo-2-hydroxybenzoate structure
100614-10-6 structure
Product Name:Hexyl 5-bromo-2-hydroxybenzoate
CAS No:100614-10-6
MF:C13H17BrO3
MW:301.176283597946
CID:1030556
PubChem ID:44829103
Update Time:2025-04-20

Hexyl 5-bromo-2-hydroxybenzoate Chemical and Physical Properties

Names and Identifiers

    • Hexyl 5-bromo-2-hydroxybenzoate
    • LogP
    • DTXSID10661186
    • hexyl 5-bromo-2-hydroxy-benzoate
    • 100614-10-6
    • Hexyl5-bromo-2-hydroxybenzoate
    • AKOS015843137
    • DB-058465
    • A800244
    • Inchi: 1S/C13H17BrO3/c1-2-3-4-5-8-17-13(16)11-9-10(14)6-7-12(11)15/h6-7,9,15H,2-5,8H2,1H3
    • InChI Key: PYHWRSPSOBAKFS-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C=1)C(=O)OCCCCCC)O

Computed Properties

  • Exact Mass: 300.03611
  • Monoisotopic Mass: 300.036
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 7
  • Complexity: 233
  • 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: 5.9
  • Topological Polar Surface Area: 46.5A^2

Experimental Properties

  • Density: 1.342
  • Boiling Point: 345.089°C at 760 mmHg
  • Flash Point: 162.504°C
  • Refractive Index: 1.543
  • PSA: 46.53
  • LogP: 3.89180

Hexyl 5-bromo-2-hydroxybenzoate Pricemore >>

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