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Home> Encyclopedia >   /  Animal Pharmaceuticals  /  Pharmaceutical Intermediates  /  Organic Intermediate
Halquinol structure
Halquinol structure

Halquinol

Iupac Name:5-chloroquinolin-8-ol; 7-chloroquinolin-8-ol; 5,7-dichloroquinolin-8-ol
CAS No.: 8067-69-4
Molecular Weight:393.65
Modify Date.: 2022-11-29 05:00
Introduction: Antiinfective, topical. View more+
1. Names and Identifiers
1.1 Name
Halquinol
1.2 Synonyms

5,7-dichloro-8-quinolinol mixed with 5-chloro-8-quinolinol 5,7-DICHLOROQUINOLIN-8-OL 5-CHLOROQUINOLIN-8-OL 5-chloroquinolin-8-ol,7-chloroquinolin-8-ol,5,7-dichloroquinolin-8-ol 7-CHLOROQUINOLIN-8-OL chlorquinol quinolor

1.3 CAS No.
8067-69-4
1.4 CID
24690
1.5 Molecular Formula
C18H11Cl3N2O2 (isomer)
1.6 Inchi
QWGNGHHESHNZOG-UHFFFAOYSA-N
1.7 InChkey
QWGNGHHESHNZOG-UHFFFAOYSA-N
1.8 Canonical Smiles
OC1=C2N=CC=CC2=C(Cl)C=C1.OC1=C(Cl)C=C(Cl)C2=C1N=CC=C2
1.9 Isomers Smiles
OC1=C2N=CC=CC2=C(Cl)C=C1.OC1=C(Cl)C=C(Cl)C2=C1N=CC=C2
2. Properties
3.1 Melting point
75-85°C
3.1 Precise Quality
571.00200
3.1 PSA
99.36000
3.1 logP
8.43480
3. Use and Manufacturing
4.1 Usage
Antiinfective, topical.
4. 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

5. Computational chemical data
  • Molecular Weight: 393.65g/mol
  • Molecular Formula: C18H11Cl3N2O2
  • Compound Is Canonicalized: True
  • XLogP3-AA:
  • 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
  • CACTVS Substructure Key Fingerprint: AAADceB7MAAHAAAAAAAAAAAAAAAAAAAAAAA8ePECAAAAAACx/gAAHgIACAAADA7BniQ8xvIIEgCgAzRnRASCgCAxZ2AI2CA/b5gKJuLTk5OEcAhkwBHY2AeQwLAOBCABAAKDGAAIQAIABQYwAAAAAAAAAA==
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