Cas no 663933-99-1 (7-Bromo-2,2-difluorobenzo[d][1,3]dioxole-4-carboxylic acid)

7-Bromo-2,2-difluorobenzo[d][1,3]dioxole-4-carboxylic acid structure
663933-99-1 structure
Product Name:7-Bromo-2,2-difluorobenzo[d][1,3]dioxole-4-carboxylic acid
CAS No:663933-99-1
MF:C8H3BrF2O4
MW:281.007828950882
CID:2180331
PubChem ID:11265996
Update Time:2025-04-21

7-Bromo-2,2-difluorobenzo[d][1,3]dioxole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 7-Bromo-2,2-difluorobenzo[d][1,3]dioxole-4-carboxylic acid
    • 7-BROMO-2,2-DIFLUORO-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
    • DB-253599
    • 7-Bromo-2,2-difluorobenzo [d][1,3]dioxole-4-carboxylic acid
    • 663933-99-1
    • AKOS024263241
    • SCHEMBL978092
    • 7-Bromo-2,2-difluorobenzo[d][1,3]dioxole-4-carboxylicacid
    • Inchi: 1S/C8H3BrF2O4/c9-4-2-1-3(7(12)13)5-6(4)15-8(10,11)14-5/h1-2H,(H,12,13)
    • InChI Key: FJCZRNAZJNVYSW-UHFFFAOYSA-N
    • SMILES: BrC1=CC=C(C(=O)O)C2=C1OC(O2)(F)F

Computed Properties

  • Exact Mass: 279.91828Da
  • Monoisotopic Mass: 279.91828Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 286
  • 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: 2.7
  • Topological Polar Surface Area: 55.8?2
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