Cas no 65849-33-4 (Phenol, 2-bromo-4-methyl-, benzoate)

Phenol, 2-bromo-4-methyl-, benzoate structure
65849-33-4 structure
Product Name:Phenol, 2-bromo-4-methyl-, benzoate
CAS No:65849-33-4
MF:C14H13BrO3
MW:309.155223608017
CID:397179
PubChem ID:71375347
Update Time:2025-04-19

Phenol, 2-bromo-4-methyl-, benzoate Chemical and Physical Properties

Names and Identifiers

    • Phenol, 2-bromo-4-methyl-, benzoate
    • benzoic acid,2-bromo-4-methylphenol
    • 65849-33-4
    • DTXSID50798086
    • Benzoic acid--2-bromo-4-methylphenol (1/1)
    • Inchi: 1S/C7H7BrO.C7H6O2/c1-5-2-3-7(9)6(8)4-5;8-7(9)6-4-2-1-3-5-6/h2-4,9H,1H3;1-5H,(H,8,9)
    • InChI Key: YOIMKZJMUCATEG-UHFFFAOYSA-N
    • SMILES: BrC1=C(C=CC(C)=C1)O.OC(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 308.00479
  • Monoisotopic Mass: 308.00481g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 198
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53
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