| Canonical Smiles | CC(C1=C(C(=CC=C1)Cl)F)O |
|---|---|
| IUPAC Name | 1-(3-chloro-2-fluorophenyl)ethanol |
| InChIKey | QTHNHXVMPXXQSP-UHFFFAOYSA-N |
| INCHI | 1S/C8H8ClFO/c1-5(11)6-3-2-4-7(9)8(6)10/h2-5,11H,1H3 |
| Molecular Weight | 174.600 |
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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 Secondary alcohols Organofluorides Organochlorides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Fluorobenzene - Chlorobenzene - Aryl halide - Aryl fluoride - Aryl chloride - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic 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 | 1 |
| 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 | 131.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
