Cas no 1451391-42-6 ((3-cyano-5-methylphenyl)boronic acid)

(3-cyano-5-methylphenyl)boronic acid structure
1451391-42-6 structure
Product Name:(3-cyano-5-methylphenyl)boronic acid
CAS No:1451391-42-6
MF:C8H8BNO2
MW:160.965621948242
MDL:MFCD18394418
CID:3162442
PubChem ID:57497333
Update Time:2025-04-21

(3-cyano-5-methylphenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (3-cyano-5-methylphenyl)boronic acid
    • 3-CYANO-5-METHYLPHENYLBORONIC ACID
    • AKOS026673460
    • EN300-3219431
    • MFCD18394418
    • AB75620
    • 3-CYANO-5-METHYLPHENYLBORONICACID
    • CS-0056302
    • BS-30952
    • (3-cyano-5-methylphenyl)boronicacid
    • D71644
    • 1451391-42-6
    • MDL： MFCD18394418
    • Inchi： 1S/C8H8BNO2/c1-6-2-7(5-10)4-8(3-6)9(11)12/h2-4,11-12H,1H3
    • InChI Key： HOWMWRQDWIZJNA-UHFFFAOYSA-N
    • SMILES： OB(C1=CC(C#N)=CC(C)=C1)O

Computed Properties

  • Exact Mass: 161.06500
  • Monoisotopic Mass: 161.0648087g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 199
  • 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: 64.2?2

Experimental Properties

  • PSA: 64.25000
  • LogP: -0.45352

(3-cyano-5-methylphenyl)boronic acid Pricemore >>

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abcr
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