Cas no 157866-06-3 ((3-bromo-5-formylphenyl)boronic acid)

(3-bromo-5-formylphenyl)boronic acid structure
157866-06-3 structure
Product Name:(3-bromo-5-formylphenyl)boronic acid
CAS No:157866-06-3
MF:C7H6BBrO3
MW:228.835741519928
MDL:MFCD10696657
CID:107923
PubChem ID:19093459
Update Time:2025-04-18

(3-bromo-5-formylphenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • Boronic acid,(3-bromo-5-formylphenyl)- (9CI)
    • (3-bromo-5-formylphenyl)Boronic acid
    • 3-Bromo-5-formylphenylboronic acid
    • BS-50401
    • MFCD10696657
    • CS-0157690
    • 157866-06-3
    • Boronic acid, (3-bromo-5-formylphenyl)- (9CI)
    • AKOS025287478
    • GPHPTLRDIAKRGQ-UHFFFAOYSA-N
    • FT-0759774
    • (3-bromo-5-formylphenyl)boronicacid
    • AB57855
    • 3-bromo-5-formyl-phenylboronic acid
    • DTXSID00598013
    • SCHEMBL9301841
    • DA-09823
    • (3-bromo-5-formylphenyl)boronic acid
    • MDL： MFCD10696657
    • Inchi： 1S/C7H6BBrO3/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-4,11-12H
    • InChI Key： GPHPTLRDIAKRGQ-UHFFFAOYSA-N
    • SMILES： BrC1C=C(C=O)C=C(B(O)O)C=1

Computed Properties

  • Exact Mass: 226.96288
  • Monoisotopic Mass: 227.95934g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 165
  • 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
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53
  • LogP: -0.05860

(3-bromo-5-formylphenyl)boronic acid Pricemore >>

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