Cas no 904444-37-7 (3-Bromo-4-neopentylbenzoic acid)

3-Bromo-4-neopentylbenzoic acid structure
904444-37-7 structure
Product Name:3-Bromo-4-neopentylbenzoic acid
CAS No:904444-37-7
MF:C12H15BrO2
MW:271.150303125381
CID:1030498
PubChem ID:8167163
Update Time:2025-04-20

3-Bromo-4-neopentylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-4-neopentylbenzoic acid
    • 3-Bromo-4-(2,2-dimethylpropyl)benzoic acid
    • DTXSID70429108
    • AKOS015922775
    • AE-562/43287151
    • 3-Bromo-4-neopentylbenzoicacid
    • 904444-37-7
    • DB-262183
    • Inchi: 1S/C12H15BrO2/c1-12(2,3)7-9-5-4-8(11(14)15)6-10(9)13/h4-6H,7H2,1-3H3,(H,14,15)
    • InChI Key: FEYUKVMKKNDQMU-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C(=O)O)C=CC=1CC(C)(C)C

Computed Properties

  • Exact Mass: 270.02554g/mol
  • Monoisotopic Mass: 270.02554g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 232
  • 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: 4.1
  • Topological Polar Surface Area: 37.3?2

3-Bromo-4-neopentylbenzoic acid Pricemore >>

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