Cas no 870822-78-9 (5-Chloro-2-(trifluoromethoxy)phenylboronic acid)

5-Chloro-2-(trifluoromethoxy)phenylboronic acid structure
870822-78-9 structure
Product Name:5-Chloro-2-(trifluoromethoxy)phenylboronic acid
CAS No:870822-78-9
MF:C7H5BClF3O3
MW:240.372011899948
MDL:MFCD10697424
CID:706736
PubChem ID:53216719
Update Time:2024-12-09

5-Chloro-2-(trifluoromethoxy)phenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (5-Chloro-2-(trifluoromethoxy)phenyl)boronic acid
    • [5-Chloro-2-(trifluoromethoxy)phenyl]boronic acid
    • 5-Chloro-2-(trifluoromethoxy)phenylboronic acid
    • Boronic acid,B-[5-chloro-2-(trifluoromethoxy)phenyl]-
    • B-[5-Chloro-2-(trifluoromethoxy)phenyl]boronic acid (ACI)
    • Boronic acid, [5-chloro-2-(trifluoromethoxy)phenyl]- (9CI)
    • MFCD10697424
    • (5-Chloro-2-(trifluoromethoxy)phenyl)boronicacid
    • AB59575
    • Boronic acid, [5-chloro-2-(trifluoromethoxy)phenyl]-
    • BS-24101
    • AKOS015850392
    • 5-Chloro-2-(trifluoromethoxy)phenylboronicacid
    • 5-chloro-2-trifluoromethoxyphenylboronic acid
    • DTXSID20681870
    • SCHEMBL265147
    • EN300-262222
    • A51156
    • 870822-78-9
    • Z1509487073
    • DB-013593
    • MDL: MFCD10697424
    • Inchi: 1S/C7H5BClF3O3/c9-4-1-2-6(15-7(10,11)12)5(3-4)8(13)14/h1-3,13-14H
    • InChI Key: UCZWBMQPOWTYNS-UHFFFAOYSA-N
    • SMILES: FC(OC1C(B(O)O)=CC(Cl)=CC=1)(F)F

Computed Properties

  • Exact Mass: 239.99700
  • Monoisotopic Mass: 239.997
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 214
  • 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: 49.7A^2

Experimental Properties

  • PSA: 49.69000
  • LogP: 0.91840

5-Chloro-2-(trifluoromethoxy)phenylboronic acid Pricemore >>

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