Cas no 1245898-81-0 (3-bromo-2-(tert-butoxy)pyridine)

3-bromo-2-(tert-butoxy)pyridine structure
1245898-81-0 structure
Product Name:3-bromo-2-(tert-butoxy)pyridine
CAS No:1245898-81-0
MF:C9H12BrNO
MW:230.10168170929
MDL:MFCD14651779
CID:2901043
PubChem ID:61373747
Update Time:2024-11-07

3-bromo-2-(tert-butoxy)pyridine Chemical and Physical Properties

Names and Identifiers

    • 3-bromo-2-tert-butoxypyridine
    • 3-bromo-2-(tert-butoxy)pyridine
    • 1245898-81-0
    • EN300-300010
    • WLZ3090
    • MFCD14651779
    • E84441
    • GTJSSGQXULGMLK-UHFFFAOYSA-N
    • Pyridine, 3-bromo-2-(1,1-dimethylethoxy)-
    • AKOS010631413
    • 3-bromo-2-[(2-methylpropan-2-yl)oxy]pyridine
    • SCHEMBL482170
    • MDL： MFCD14651779
    • Inchi： 1S/C9H12BrNO/c1-9(2,3)12-8-7(10)5-4-6-11-8/h4-6H,1-3H3
    • InChI Key： GTJSSGQXULGMLK-UHFFFAOYSA-N
    • SMILES： BrC1=CC=CN=C1OC(C)(C)C

Computed Properties

  • Exact Mass: 229.01000
  • Monoisotopic Mass: 229.01023g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 144
  • 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
  • XLogP3: 2.8
  • Topological Polar Surface Area: 22.1?2

Experimental Properties

  • PSA: 22.12000
  • LogP: 3.02140

3-bromo-2-(tert-butoxy)pyridine Pricemore >>

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eNovation Chemicals LLC
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