| Canonical Smiles | C1=C(C(=CC(=C1F)O)Cl)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 5-chloro-2-fluoro-4-nitrophenol |
| InChIKey | KHNFVXKDLWKPRS-UHFFFAOYSA-N |
| INCHI | 1S/C6H3ClFNO3/c7-3-1-6(10)4(8)2-5(3)9(11)12/h1-2,10H |
| Isomeric SMILES | C1=C(C(=CC(=C1F)O)Cl)[N+](=O)[O-] |
| PubChem CID | 90016792 |
| Molecular Weight | 191.54 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenols |
| Subclass | Nitrophenols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrophenols |
| Alternative Parents | Nitrobenzenes M-chlorophenols Nitroaromatic compounds O-fluorophenols 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Fluorobenzenes Aryl fluorides Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organofluorides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organic salts Organochlorides Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrophenol - Nitrobenzene - 2-fluorophenol - Nitroaromatic compound - 3-chlorophenol - 2-halophenol - 3-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Fluorobenzene - Chlorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Aryl fluoride - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organofluoride - Organochloride - Organic oxide - Organohalogen compound - Organic cation - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 191.540 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 190.979 Da |
| Monoisotopic Mass | 190.979 Da |
| Topological Polar Surface Area | 66.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 186.000 |
| 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 |
