| Canonical Smiles | C1=CC(=C(C=C1C2=CC(=CC(=C2)Cl)Cl)O)C=O |
|---|---|
| IUPAC Name | 4-(3,5-dichlorophenyl)-2-hydroxybenzaldehyde |
| InChIKey | UINBBHZVOIADCN-UHFFFAOYSA-N |
| INCHI | 1S/C13H8Cl2O2/c14-11-3-10(4-12(15)6-11)8-1-2-9(7-16)13(17)5-8/h1-7,17H |
| Molecular Weight | 267.1 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Chlorinated biphenyls |
| Direct Parent | Polychlorinated biphenyls |
| Alternative Parents | Hydroxybenzaldehydes Dichlorobenzenes Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous acids Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Polychlorinated biphenyl - Hydroxybenzaldehyde - Benzaldehyde - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Aryl-aldehyde - 1-hydroxy-2-unsubstituted benzenoid - Aryl chloride - Aryl halide - Vinylogous acid - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aldehyde - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as polychlorinated biphenyls. These are organic compounds containing at least two chlorine atoms attached to either benzene ring of the biphenyl moiety. |
| External Descriptors | Not available |
| Molecular Weight | 267.100 g/mol |
|---|---|
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 265.99 Da |
| Monoisotopic Mass | 265.99 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 262.000 |
| 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 |
