Cas no 43216-34-8 (2-phenylethyl 2-bromopropanoate)

2-phenylethyl 2-bromopropanoate structure
43216-34-8 structure
Product Name:2-phenylethyl 2-bromopropanoate
CAS No:43216-34-8
MF:C11H13BrO2
MW:257.123722791672
CID:928856
PubChem ID:346278
Update Time:2025-04-19

2-phenylethyl 2-bromopropanoate Chemical and Physical Properties

Names and Identifiers

    • 2-phenylethyl 2-bromopropanoate
    • (2-Phenylethyl)-2-bromo-isobutyryl bromide
    • 2-Bromopropionic acid, 2-phenylethyl ester
    • AC1L84MM
    • CTK1D6562
    • NSC404471
    • phenethyl 2-bromopropanoate
    • HDTKBTHJTMZYGF-UHFFFAOYSA-N
    • NSC-404471
    • 2-Phenylethyl 2-bromopropanoate #
    • 43216-34-8
    • DTXSID40323629
    • Inchi: 1S/C11H13BrO2/c1-9(12)11(13)14-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
    • InChI Key: HDTKBTHJTMZYGF-UHFFFAOYSA-N
    • SMILES: BrC(C)C(=O)OCCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 256.00989g/mol
  • Monoisotopic Mass: 256.00989g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 176
  • 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: 3.5
  • Topological Polar Surface Area: 26.3?2
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