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Basic Description
| Synonyms | 2-Fluoro-6-methylphenol | 443-90-3 | MFCD12026463 | PHENOL, 2-FLUORO-6-METHYL- | SCHEMBL764955 | DTXSID50505151 | FPPAKOISAFCWJT-UHFFFAOYSA-N | AKOS006240248 | MB11516 | AS-33040 | SY034385 | CS-0138284 | FT-0719157 | EN300-157411 |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenols |
| Subclass | Cresols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Ortho cresols |
| Alternative Parents | O-fluorophenols Toluenes Fluorobenzenes 1-hydroxy-4-unsubstituted benzenoids Aryl fluorides Organooxygen compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 2-halophenol - 2-fluorophenol - O-cresol - Fluorobenzene - Halobenzene - 1-hydroxy-4-unsubstituted benzenoid - Toluene - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Organohalogen compound - Organic oxygen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively. |
| External Descriptors | Not available |
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Names and Identifiers
| IUPAC Name | 2-fluoro-6-methylphenol |
|---|---|
| INCHI | InChI=1S/C7H7FO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3 |
| InChIKey | FPPAKOISAFCWJT-UHFFFAOYSA-N |
| Smiles | CC1=C(C(=CC=C1)F)O |
| Isomeric SMILES | CC1=C(C(=CC=C1)F)O |
| Molecular Weight | 126.1 |
| Reaxy-Rn | 3235342 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3235342&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 126.130 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 126.048 Da |
| Monoisotopic Mass | 126.048 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 94.900 |
| 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 |
Solution Calculators
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