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Home> Hot Product Listed T   > T6742298
942919-26-8 structure

T6742298

Iupac Name:4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
CAS No.:942919-26-8
Molecular Weight:244.101
Molecular Formula:C17H24N6O (isomer)
Names and Identifiers
Synonyms

2-{4-[(3-nitropyridin-2-yl)amino]-1h-pyrazol-1-yl}ethan-1-ol MCULE-2923206652 MOLPORT-009-098-445 Z815803492 ZINC48962939

Inchi
InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-6-8-16-11-9(10)5-7-15-11/h5-8H,1-4H3,(H,15,16)
InChkey
OYFHAWAVFVJOBN-UHFFFAOYSA-N
Canonical Smiles
B1(OC(C(O1)(C)C)(C)C)C2=C3C=CNC3=NC=C2
Properties
Refractive Index
1.563
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:244.101g/mol
  • Molecular Formula:C17H24N6O
  • Compound Is Canonicalized:True
  • Exact Mass:244.138
  • Monoisotopic Mass:244.138
  • Complexity:319
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:47.1A^2
  • Heavy Atom Count:18
  • 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: AAADceJzMAAAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAoHgAQAAAADETBmwQ/sN7JkACg AjJnZACCgCmxAqAJ2aA4ZJiJKOLAmJGEIAhokALIyCcQAAAOgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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