Cas no 372521-99-8 (Boronic acid,(5-butoxy-1-naphthalenyl)- (9CI))

Boronic acid,(5-butoxy-1-naphthalenyl)- (9CI) structure
372521-99-8 structure
Product Name:Boronic acid,(5-butoxy-1-naphthalenyl)- (9CI)
CAS No:372521-99-8
MF:C14H17BO3
MW:244.093984365463
CID:297897
PubChem ID:45116887
Update Time:2025-04-19

Boronic acid,(5-butoxy-1-naphthalenyl)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Boronic acid,(5-butoxy-1-naphthalenyl)- (9CI)
    • (5-butoxynaphthalen-1-yl)boronic acid
    • 372521-99-8
    • DTXSID30668511
    • (5-Butoxy-1-naphthyl)boronic acid
    • starbld0018469
    • Inchi: 1S/C14H17BO3/c1-2-3-10-18-14-9-5-6-11-12(14)7-4-8-13(11)15(16)17/h4-9,16-17H,2-3,10H2,1H3
    • InChI Key: RHPFXFQJJMNUKL-UHFFFAOYSA-N
    • SMILES: O(CCCC)C1C=CC=C2C(B(O)O)=CC=CC2=1

Computed Properties

  • Exact Mass: 244.127
  • Monoisotopic Mass: 244.127
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 247
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 49.7A^2

Experimental Properties

  • PSA: 49.69000
  • LogP: 1.69850
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