| Canonical Smiles | C1=C(C(=CC(=C1O)Cl)O)O |
|---|---|
| IUPAC Name | 5-chlorobenzene-1,2,4-triol |
| InChIKey | RSJCPOVKDYSWAP-UHFFFAOYSA-N |
| INCHI | 1S/C6H5ClO3/c7-3-1-5(9)6(10)2-4(3)8/h1-2,8-10H |
| Molecular Weight | 160.55 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenols |
| Subclass | Benzenetriols and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroxyquinols and derivatives |
| Alternative Parents | 1,4-dihydroxy-2-halobenzenoids P-chlorophenols O-chlorophenols M-chlorophenols Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Polyols Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 1,4-dihydroxy-2-halobenzenoid - Hydroxyquinol derivative - 4-halophenol - 3-halophenol - 2-halophenol - 3-chlorophenol - 2-chlorophenol - 4-chlorophenol - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Polyol - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroxyquinols and derivatives. These are compounds containing a 1,2,4-trihydroxybenzene moiety. |
| External Descriptors | an organic chloride - a quinol |
| Molecular Weight | 160.550 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 159.993 Da |
| Monoisotopic Mass | 159.993 Da |
| Topological Polar Surface Area | 60.700 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 120.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
