Cas no 53086-53-6 (2-(4-bromophenyl)propanoic acid)

2-(4-bromophenyl)propanoic acid structure
53086-53-6 structure
Product Name:2-(4-bromophenyl)propanoic acid
CAS No:53086-53-6
MF:C9H9BrO2
MW:229.070562124252
MDL:MFCD11036868
CID:830406
PubChem ID:521441
Update Time:2025-04-19

2-(4-bromophenyl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Bromophenyl)propionic acid
    • (+/-)-α-(4-bromophenyl)propionic acid
    • 2-(4-Bromophenyl)propanoic acid
    • 2-(4-bromophenyl)-propaonic acid
    • Benzeneacetic acid, 4-bromo-α-methyl-
    • 53086-53-6
    • 2-(4-Bromophenyl)propanoic acid #
    • 4-bromo phenyl propionic acid
    • AKOS016375323
    • NS-02927
    • 2-(4-Bromophenyl)propanoicacid
    • XH0724
    • Z1259342200
    • D87730
    • F9994-5411
    • Benzeneacetic acid, 4-bromo-.alpha.-methyl-
    • MFCD11036868
    • DB-364056
    • SCHEMBL421564
    • 2-(4-bromo-phenyl)-propionic acid
    • EN300-90654
    • 2-(4-bromophenyl)propanoic acid
    • MDL: MFCD11036868
    • Inchi: 1S/C9H9BrO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)
    • InChI Key: PFDBEACWLCHWRZ-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)C(C(=O)O)C

Computed Properties

  • Exact Mass: 227.97857
  • Monoisotopic Mass: 227.97859g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 162
  • 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: 2.6
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

2-(4-bromophenyl)propanoic acid Pricemore >>

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