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Home> Hot Product Listed M   > MOLPORT-006-848-606
1142943-96-1 structure

MOLPORT-006-848-606

Iupac Name:N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CAS No.:1142943-96-1
Molecular Weight:281.113
Molecular Formula:C24H22N6O6 (isomer)
Names and Identifiers
Synonyms

[(6-ethoxy-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]acetic acid [(6-ethoxy-2-oxo-3,4-dihydro-1h-quinolin-7-yl)oxy]acetic acid 2-((6-ethoxy-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy)acetic acid 2-(6-ethoxy-2-oxo-7-1,3,4-trihydroquinolyloxy)acetic acid acetic acid, [(6-ethoxy-1,2,3,4-tetrahydro-2-oxo-7-quinolinyl)oxy]- AK423487 AKOS015998256 ALBB-024636 MCULE-1242327933 mfcd13704111 SBB072044 ST092611 ZINC40544635 zx-an023150

Inchi
InChI=1S/C10H9BrN4O/c11-7-2-1-3-8-12-10(14-15(7)8)13-9(16)6-4-5-6/h1-3,6H,4-5H2,(H,13,14,16)
InChkey
XLBCMNCPMMPNHH-UHFFFAOYSA-N
Canonical Smiles
C1CC1C(=O)NC2=NN3C(=N2)C=CC=C3Br
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:281.113g/mol
  • Molecular Formula:C24H22N6O6
  • Compound Is Canonicalized:True
  • Exact Mass:279.996
  • Monoisotopic Mass:279.996
  • Complexity:297
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:59.3A^2
  • Heavy Atom Count:16
  • 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: AAADccBzoAAAEAAAAAAAAAAAGAAAAWAAAAAsAAAAAAAAAFgB4AAAHgBYAAABPQCBkwAxsJ7IEACq ACNydACShCshAqQdmCEwZLiIKPLAmZGEoAh4mQLIyjYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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