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Home> Hot Product Listed T   > T6515860
933190-51-3 structure

T6515860

Iupac Name:8-bromo-6-chloroimidazo[1,2-b]pyridazine
CAS No.:933190-51-3
Molecular Weight:232.465
Molecular Formula:C14H17N3O3S (isomer)
Names and Identifiers
Synonyms

MCULE-3732850647 MOLPORT-009-377-355 n-[2-(3-chlorophenyl)ethyl]-2-{[(1-phenyl-1h-1,2,3,4-tetrazol-5-yl)methyl]sulfanyl}benzamide Z99366081 ZINC39984303

Inchi
InChI=1S/C6H3BrClN3/c7-4-3-5(8)10-11-2-1-9-6(4)11/h1-3H
InChkey
LZEJQXOCRMRVNP-UHFFFAOYSA-N
Canonical Smiles
C1=CN2C(=N1)C(=CC(=N2)Cl)Br
Properties
Refractive Index
1.767
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:232.465g/mol
  • Molecular Formula:C14H17N3O3S
  • Compound Is Canonicalized:True
  • Exact Mass:230.92
  • Monoisotopic Mass:230.92
  • Complexity:157
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:30.2A^2
  • Heavy Atom Count:11
  • 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: AAADcQBjAAAEEAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB4AAAHAJIAAABqALBEyQ9sJ4IEACi ADJnZACShC8xl6Qd2CA4driIaMBBioEUgAhICALAQCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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