Cas no 313545-39-0 (4-ethoxy-2-(trifluoromethyl)benzeneboronic acid)

4-ethoxy-2-(trifluoromethyl)benzeneboronic acid structure
313545-39-0 structure
Product Name:4-ethoxy-2-(trifluoromethyl)benzeneboronic acid
CAS No:313545-39-0
MF:C9H10BF3O3
MW:233.980113506317
MDL:MFCD08059515
CID:829261
PubChem ID:22021677
Update Time:2025-04-19

4-ethoxy-2-(trifluoromethyl)benzeneboronic acid Chemical and Physical Properties

Names and Identifiers

    • (4-Ethoxy-2-(trifluoromethyl)phenyl)boronic acid
    • 4-ETHOXY-2-(TRIFLUOROMETHYL)BENZENEBORONIC ACID
    • 4-Ethoxy-2-(trifluoromethyl)phenylboronic acid
    • 4-Ethoxy-3-(trifluoromethyl)phenylboronic acid
    • SCHEMBL3563846
    • DS-10992
    • 313545-39-0
    • CS-0041762
    • [4-ethoxy-2-(trifluoromethyl)phenyl]boronic acid
    • AKOS015893117
    • VT1363
    • DB-028854
    • (4-Ethoxy-2-(trifluoromethyl)phenyl)boronicacid
    • MFCD08059515
    • 4-ethoxy-2-trifluoromethylphenyl boronic acid
    • DTXSID501257318
    • 4-Ethoxy-2-(trifluoromethyl)phenylboric acid
    • 4-ethoxy-2-(trifluoromethyl)benzeneboronic acid
    • MDL： MFCD08059515
    • Inchi： 1S/C9H10BF3O3/c1-2-16-6-3-4-8(10(14)15)7(5-6)9(11,12)13/h3-5,14-15H,2H2,1H3
    • InChI Key： OGQUWAGSWMWDRG-UHFFFAOYSA-N
    • SMILES： FC(C1C=C(C=CC=1B(O)O)OCC)(F)F

Computed Properties

  • Exact Mass: 234.06800
  • Monoisotopic Mass: 234.0675088g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 223
  • 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: 49.7?2

Experimental Properties

  • PSA: 49.69000
  • LogP: 0.78390

4-ethoxy-2-(trifluoromethyl)benzeneboronic acid Security Information

  • HazardClass：IRRITANT

4-ethoxy-2-(trifluoromethyl)benzeneboronic acid Pricemore >>

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