| Sonrisas canónicas | C1=CC(=CC=C1C2=CC(=C(C=C2)F)C(=O)O)Cl |
|---|---|
| IUPAC Name | 5-(4-chlorophenyl)-2-fluorobenzoic acid |
| InChIKey | XFDPZBMURWRFGE-UHFFFAOYSA-N |
| INCHI | 1S/C13H8ClFO2/c14-10-4-1-8(2-5-10)9-3-6-12(15)11(7-9)13(16)17/h1-7H,(H,16,17) |
| Isómeros SMILES | C1=CC(=CC=C1C2=CC(=C(C=C2)F)C(=O)O)Cl |
| PubChem CID | 53211077 |
| Peso molecular | 250.65 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chlorinated biphenyls |
| Alternative Parents | Halobenzoic acids 2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Vinylogous halides Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Chlorinated biphenyl - 2-halobenzoic acid or derivatives - Halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety. |
| External Descriptors | Not available |
| Peso molecular | 250.650 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 250.02 Da |
| Monoisotopic Mass | 250.02 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 277.000 |
| 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 |
