Cas no 61535-22-6 (1,3-Benzodioxole, 4-bromo-7-methoxy-)

1,3-Benzodioxole, 4-bromo-7-methoxy- structure
61535-22-6 structure
Product Name:1,3-Benzodioxole, 4-bromo-7-methoxy-
CAS No:61535-22-6
MF:C8H7BrO3
MW:231.043381929398
CID:475889
PubChem ID:11138976
Update Time:2025-04-19

1,3-Benzodioxole, 4-bromo-7-methoxy- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzodioxole, 4-bromo-7-methoxy-
    • 4-bromo-7-methoxy-1,3-benzodioxole
    • 61535-22-6
    • SCHEMBL6837756
    • MFCD22555993
    • 4-bromo-7-methoxybenzo[d][1,3]dioxole
    • LISWFPRVJNBBGC-UHFFFAOYSA-N
    • DTXSID60456660
    • 7-bromo-4-methoxy-1,3-benzodioxole
    • 4-BROMO-7-METHOXY-2H-1,3-BENZODIOXOLE
    • Inchi: 1S/C8H7BrO3/c1-10-6-3-2-5(9)7-8(6)12-4-11-7/h2-3H,4H2,1H3
    • InChI Key: LISWFPRVJNBBGC-UHFFFAOYSA-N
    • SMILES: BrC1=CC=C(C2=C1OCO2)OC

Computed Properties

  • Exact Mass: 229.95781
  • Monoisotopic Mass: 229.95786g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 164
  • 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: 2.4
  • Topological Polar Surface Area: 27.7?2

Experimental Properties

  • PSA: 27.69

1,3-Benzodioxole, 4-bromo-7-methoxy- Pricemore >>

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