Cas no 700858-32-8 (2-bromo-4-cyano-6-methoxyphenyl benzoate)

2-bromo-4-cyano-6-methoxyphenyl benzoate structure
700858-32-8 structure
Product Name:2-bromo-4-cyano-6-methoxyphenyl benzoate
CAS No:700858-32-8
MF:C15H10BrNO3
MW:332.1488032341
MDL:MFCD02256537
CID:3057942
PubChem ID:977016
Update Time:2025-04-21

2-bromo-4-cyano-6-methoxyphenyl benzoate Chemical and Physical Properties

Names and Identifiers

    • 2-bromo-4-cyano-6-methoxyphenyl benzoate
    • 700858-32-8
    • (2-bromo-4-cyano-6-methoxyphenyl) benzoate
    • 2-bromo-4-cyano-6-methoxyphenylbenzoate
    • CS-0347635
    • AKOS000305269
    • SR-01000272493
    • STK348835
    • SR-01000272493-1
    • EN300-227987
    • MDL: MFCD02256537
    • Inchi: 1S/C15H10BrNO3/c1-19-13-8-10(9-17)7-12(16)14(13)20-15(18)11-5-3-2-4-6-11/h2-8H,1H3
    • InChI Key: HVBUPASLLLEHCX-UHFFFAOYSA-N
    • SMILES: BrC1=CC(C#N)=CC(=C1OC(C1C=CC=CC=1)=O)OC

Computed Properties

  • Exact Mass: 330.98441Da
  • Monoisotopic Mass: 330.98441Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 386
  • 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: 3.7
  • Topological Polar Surface Area: 59.3?2

2-bromo-4-cyano-6-methoxyphenyl benzoate Pricemore >>

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