Cas no 622835-93-2 (Methyl (2R)-2-bromo-2-(2-chlorophenyl)acetate)

Methyl (2R)-2-bromo-2-(2-chlorophenyl)acetate structure
622835-93-2 structure
Product Name:Methyl (2R)-2-bromo-2-(2-chlorophenyl)acetate
CAS No:622835-93-2
MF:C9H8BrClO2
MW:263.515621185303
CID:68497
PubChem ID:41067191
Update Time:2025-04-18

Methyl (2R)-2-bromo-2-(2-chlorophenyl)acetate Chemical and Physical Properties

Names and Identifiers

    • Methyl (2R)-2-bromo-2-(2-chlorophenyl)acetate
    • METHYL ALPHA-BROMO-2-CHLOROBENZENEACETIC ACETATE
    • SCHEMBL1417549
    • 622835-93-2
    • Inchi: 1S/C9H8BrClO2/c1-13-9(12)8(10)6-4-2-3-5-7(6)11/h2-5,8H,1H3/t8-/m1/s1
    • InChI Key: HMBUCZUZRQQJQD-MRVPVSSYSA-N
    • SMILES: Br[C@@H](C(=O)OC)C1C=CC=CC=1Cl

Computed Properties

  • Exact Mass: 261.93964
  • Monoisotopic Mass: 261.94
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 187
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3A^2
  • XLogP3: 3.2

Experimental Properties

  • Density: 1.567
  • Boiling Point: 281 oC
  • Flash Point: 124 oC
  • Refractive Index: 1.565
  • PSA: 26.3
  • LogP: 2.94900
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