| Canonical Smiles | C1=CC(=C(C(=C1)Cl)CCO)F |
|---|---|
| IUPAC Name | 2-(2-chloro-6-fluorophenyl)ethanol |
| InChIKey | UYZAUXBNFFFZFA-UHFFFAOYSA-N |
| INCHI | 1S/C8H8ClFO/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3,11H,4-5H2 |
| Isomeric SMILES | C1=CC(=C(C(=C1)Cl)CCO)F |
| Alternate CAS | 214262-86-9 |
| PubChem CID | 2733235 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluorobenzenes |
| Alternative Parents | Chlorobenzenes Aryl fluorides Aryl chlorides Primary alcohols Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Fluorobenzene - Chlorobenzene - Aryl halide - Aryl fluoride - Aryl chloride - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 174.600 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 174.025 Da |
| Monoisotopic Mass | 174.025 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 121.000 |
| 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 |
