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Home> Hot Product Listed B   > BAS 05437578
1224436-34-3 structure

BAS 05437578

Iupac Name:(5-ethoxypyridin-3-yl)boronic acid
CAS No.:1224436-34-3
Molecular Weight:166.971g/mol
Molecular Formula:C17H16CL2N2OS2 (isomer)
Names and Identifiers
Synonyms

AKOS000269949 AKOS016039563 HMS1691E10 MCULE-6575938897 MOLPORT-000-392-910 MOLPORT-035-880-207 n-(1,1-dioxidotetrahydrothiophen-3-yl)benzenesulfonamide n-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-benzenesulfonamide n-(1,1-dioxothiolan-3-yl)benzenesulfonamide OPREA1_786057 SBB041369 STOCK4S-84629 Z45510135

Inchi
InChI=1S/C7H10BNO3/c1-2-12-7-3-6(8(10)11)4-9-5-7/h3-5,10-11H,2H2,1H3
InChkey
DGHVOODLUQFVRD-UHFFFAOYSA-N
Canonical Smiles
B(C1=CC(=CN=C1)OCC)(O)O
Computational chemical data
  • Molecular Weight:166.971g/molg/mol
  • Molecular Formula:C17H16CL2N2OS2
  • Compound Is Canonicalized:True
  • Exact Mass:167.075
  • Monoisotopic Mass:167.075
  • Complexity:134
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:62.6A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccJiMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAoHgAACAAACAThkgY+hpIIFACg ADBnRASCiCAxYCAA2CAvTJgOJuLEsZuHOCjkwBHY6AYwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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