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Clioquinol

CAS: 130-26-7 | C9H5ClINO

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 130-26-7
Molecular Formula: C9H5ClINO
Molecular Weight: 305.502 g/mol

Names and Synonyms:

Clioquinol
8-Quinolinol, 5-chloro-7-iodo-
5-Chloro-7-iodo-8-quinolinol
Alchloquin
Amebil
Amoenol
Bactol
5-Chloro-8-hydroxy-7-iodoquinoline
5-Chloro-7-iodo-8-hydroxyquinoline
Chloroiodoquine
Clioquinol
Eczecidin
Emaform
Enteroquinol
Entero-Vioform
Enterozol
Entrokin
Iodenterol
Iodochlorhydroxyquin
Iodochlorhydroxyquinol
7-Iodo-5-chloroxine
Iodoenterol
Nioform
Quinambicide
Rometin
Vioform
Iodochloroxyquinoline
Chinoform
Cifoform
5-Chloro-7-iodo-8-oxyquinoline
7-Iodo-5-chloro-8-hydroxyquinoline
Quinoform
Dioquinol
8-Hydroxy-7-iodo-5-chloroquinoline
Chloroiodoquin
Barquinol
Budoform
Cliquinol
Hi-Enterol
Iodochloroxine
Iodochloroquine
Chlorojodochin
Iodoxyquinoline
Lekosept
Enteroseptol
Quinoform (antiseptic)
Quiniodochlor
Dizenterol
Rheaform
Vioformio
Quin-O-Creme
Hi-Eneterol
Rheaform Boluses
Cort-Quin
NSC 3531
NSC 74938
Quinidochlor

Identifiers:

SMILES:
Oc1c(I)cc(Cl)c2cccnc12
InChI:
InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 305.50 g/mol Legacy Database
cas-canonical-smile ClC=1C=C(I)C(O)=C2N=CC=CC12 None Legacy Database
cas-inchi InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H None Legacy Database
cas-inchi-key InChIKey=QCDFBFJGMNKBDO-UHFFFAOYSA-N None Legacy Database
cas-melting-point 178-179 °C None Legacy Database
cas-name Clioquinol None Legacy Database
LogP 3.1984000000000004 RDKit

Molecular

Property Value Source
Molecular Weight 305.502 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 304.9104394600001 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 13 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 33.120000000000005 Ų RDKit

Molar

Property Value Source
Molar Refractivity 61.134800000000006 RDKit

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