Cas no 105884-61-5 (2-(naphthalen-1-yl)ethylboronic acid)

2-(naphthalen-1-yl)ethylboronic acid structure
105884-61-5 structure
Product Name:2-(naphthalen-1-yl)ethylboronic acid
CAS No:105884-61-5
MF:C12H13BO2
MW:200.041423559189
MDL:MFCD06212495
CID:1166357
PubChem ID:44273981
Update Time:2025-04-20

2-(naphthalen-1-yl)ethylboronic acid Chemical and Physical Properties

Names and Identifiers

    • Boronic acid, [2-(1-naphthalenyl)ethyl]-
    • 2-(naphthalen-1-yl)ethylboronic acid
    • (2-(Naphthalen-1-yl)ethyl)boronic acid
    • [2-(naphthalen-1-yl)ethyl]boronic acid
    • 2-(1-Naphthyl)ethyl boronic acid
    • CHEMBL20434
    • SCHEMBL9220925
    • BDBM50282574
    • EN300-9490937
    • 105884-61-5
    • MDL: MFCD06212495
    • Inchi: 1S/C12H13BO2/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,14-15H,8-9H2
    • InChI Key: NLOFGAWFSZSJFG-UHFFFAOYSA-N
    • SMILES: OB(CCC1C=CC=C2C=CC=CC=12)O

Computed Properties

  • Exact Mass: 199.10449
  • Monoisotopic Mass: 200.1008598g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • 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: 40.5?2

Experimental Properties

  • PSA: 40.46

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