Cas no 186498-27-1 ((4-Isobutyrylphenyl)boronic acid)

(4-Isobutyrylphenyl)boronic acid structure
186498-27-1 structure
Product Name:(4-Isobutyrylphenyl)boronic acid
CAS No:186498-27-1
MF:C10H13BO3
MW:192.019423246384
MDL:MFCD12022352
CID:828368
PubChem ID:21186215
Update Time:2025-04-19

(4-Isobutyrylphenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (4-Isobutyrylphenyl)boronic acid
    • 4-Isobutyrylphenylboronic acid
    • [4-(2-methylpropanoyl)phenyl]boronic acid
    • AKOS006343335
    • MFCD12022352
    • DB-367858
    • SCHEMBL7363669
    • 4-(2-methylpropanoyl)phenylboronic acid
    • DTXSID10611202
    • CS-0174827
    • (4-Isobutyrylphenyl)boronicacid
    • BS-25052
    • F87641
    • 186498-27-1
    • MDL： MFCD12022352
    • Inchi： 1S/C10H13BO3/c1-7(2)10(12)8-3-5-9(6-4-8)11(13)14/h3-7,13-14H,1-2H3
    • InChI Key： CFUNNCDOCRSHJT-UHFFFAOYSA-N
    • SMILES： O=C(C1C=CC(B(O)O)=CC=1)C(C)C

Computed Properties

  • Exact Mass: 192.09600
  • Monoisotopic Mass: 192.0957744g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 196
  • 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: 57.53000
  • LogP: 0.20510

(4-Isobutyrylphenyl)boronic acid Pricemore >>

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