Cas no 1630371-79-7 (2,3-Difluoro-4-methylmandelic acid)

2,3-Difluoro-4-methylmandelic acid structure
1630371-79-7 structure
Product Name:2,3-Difluoro-4-methylmandelic acid
CAS No:1630371-79-7
MF:C9H8F2O3
MW:202.154829978943
CID:4939230
Update Time:2023-08-22

2,3-Difluoro-4-methylmandelic acid Chemical and Physical Properties

Names and Identifiers

    • 2,3-Difluoro-4-methylmandelic acid
    • Inchi: 1S/C9H8F2O3/c1-4-2-3-5(7(11)6(4)10)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14)
    • InChI Key: SGJNDVAQDPHJRV-UHFFFAOYSA-N
    • SMILES: FC1C(=C(C)C=CC=1C(C(=O)O)O)F

Computed Properties

  • Exact Mass: 202.04415044 g/mol
  • Monoisotopic Mass: 202.04415044 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 222
  • 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: 1.4
  • Topological Polar Surface Area: 57.5
  • Molecular Weight: 202.15

2,3-Difluoro-4-methylmandelic acid Pricemore >>

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