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Home> Hot Product Listed M   > MOLPORT-000-814-735
8067-69-4 structure

MOLPORT-000-814-735

Iupac Name:5-chloroquinolin-8-ol; 7-chloroquinolin-8-ol; 5,7-dichloroquinolin-8-ol
CAS No.:8067-69-4
Molecular Weight:573.25418
Molecular Formula:C13H15N5S2 (isomer)
Names and Identifiers
Synonyms

2-{4-methoxy-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.0(2),?.0(1)(1),(1)?]hexadeca-1(9),2,4,6,15-pentaen-8-yl}acetamide hydrochloride AKOS032398593 MCULE-9113240928

Inchi
InChI=1/C9H5Cl2NO.C9H6ClNO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-4,13H;1-5,12H
Canonical Smiles
C1=CC2=C(C(=C(C=C2)Cl)O)N=C1.C1=CC2=C(C=CC(=C2N=C1)O)Cl.C1=CC2=C(C(=C(C=C2Cl)Cl)O)N=C1
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:573.25418g/mol
  • Molecular Formula:C13H15N5S2
  • Exact Mass:572.999452
  • Monoisotopic Mass:571.002402
  • Complexity:520
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:99.4
  • Heavy Atom Count:37
  • 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:3
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  • Fax:86-571-88938652
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