Cas no 325147-50-0 (3-(2-bromo-4-methylphenyl)propanal)

3-(2-bromo-4-methylphenyl)propanal structure
325147-50-0 structure
Product Name:3-(2-bromo-4-methylphenyl)propanal
CAS No:325147-50-0
MF:C10H11BrO
MW:227.097742319107
CID:3939138
PubChem ID:53403896
Update Time:2025-04-22

3-(2-bromo-4-methylphenyl)propanal Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanal, 2-bromo-4-methyl-
    • 3-(2-bromo-4-methylphenyl)propanal
    • 325147-50-0
    • EN300-1913177
    • MDL: MFCD09999371
    • Inchi: 1S/C10H11BrO/c1-8-4-5-9(3-2-6-12)10(11)7-8/h4-7H,2-3H2,1H3
    • InChI Key: QFQHSCMKNYWNMP-UHFFFAOYSA-N
    • SMILES: C(=O)CCC1=CC=C(C)C=C1Br

Computed Properties

  • Exact Mass: 225.99933Da
  • Monoisotopic Mass: 225.99933Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 147
  • 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: 2.7
  • Topological Polar Surface Area: 17.1?2

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