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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 Mass
- 305.50 g/mol
Identifiers
CAS Registry Number
130-26-7
SMILES
Oc1c(I)cc(Cl)c2cccnc12
InChI Key
QCDFBFJGMNKBDO-UHFFFAOYSA-N
InChI
InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
Names and Synonyms
- Clioquinol Synonym
- 8-Quinolinol, 5-chloro-7-iodo- Synonym
- 5-Chloro-7-iodo-8-quinolinol Synonym
- Alchloquin Synonym
- Amebil Synonym
- Amoenol Synonym
- Bactol Synonym
- 5-Chloro-8-hydroxy-7-iodoquinoline Synonym
- 5-Chloro-7-iodo-8-hydroxyquinoline Synonym
- Chloroiodoquine Synonym
- Clioquinol Synonym
- Eczecidin Synonym
- Emaform Synonym
- Enteroquinol Synonym
- Entero-Vioform Synonym
- Enterozol Synonym
- Entrokin Synonym
- Iodenterol Synonym
- Iodochlorhydroxyquin Synonym
- Iodochlorhydroxyquinol Synonym
- 7-Iodo-5-chloroxine Synonym
- Iodoenterol Synonym
- Nioform Synonym
- Quinambicide Synonym
- Rometin Synonym
- Vioform Synonym
- Iodochloroxyquinoline Synonym
- Chinoform Synonym
- Cifoform Synonym
- 5-Chloro-7-iodo-8-oxyquinoline Synonym
- 7-Iodo-5-chloro-8-hydroxyquinoline Synonym
- Quinoform Synonym
- Dioquinol Synonym
- 8-Hydroxy-7-iodo-5-chloroquinoline Synonym
- Chloroiodoquin Synonym
- Barquinol Synonym
- Budoform Synonym
- Cliquinol Synonym
- Hi-Enterol Synonym
- Iodochloroxine Synonym
- Iodochloroquine Synonym
- Chlorojodochin Synonym
- Iodoxyquinoline Synonym
- Lekosept Synonym
- Enteroseptol Synonym
- Quinoform (antiseptic) Synonym
- Quiniodochlor Synonym
- Dizenterol Synonym
- Rheaform Synonym
- Vioformio Synonym
- Quin-O-Creme Synonym
- Hi-Eneterol Synonym
- Rheaform Boluses Synonym
- Cort-Quin Synonym
- NSC 3531 Synonym
- NSC 74938 Synonym
- Quinidochlor Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 305.50 g/mol | CAS Common Chemistry |
| 305.502 g/mol | RDKit | |
| 305.499 g/mol | chempirical lib | |
| Canonical SMILES | ClC=1C=C(I)C(O)=C2N=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H | CAS Common Chemistry |
| InChI Key | InChIKey=QCDFBFJGMNKBDO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 178-179 °C | CAS Common Chemistry |
| Name | Clioquinol | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| 33.12 Ų | RDKit | |
| 32.59 Ų | chempirical lib | |
| LogP | 3.1984000000000004 | RDKit |
| 3.1984 | RDKit | |
| Molar Refractivity | 61.134800000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 304.9104394600001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
