| Sonrisas canónicas | C1=C(OC(=C1)C(=O)O)COC2=C(C(=C(C(=C2F)F)F)F)F |
|---|---|
| IUPAC Name | 5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxylic acid |
| InChIKey | XPPWBHFKFCPHJJ-UHFFFAOYSA-N |
| INCHI | 1S/C12H5F5O4/c13-6-7(14)9(16)11(10(17)8(6)15)20-3-4-1-2-5(21-4)12(18)19/h1-2H,3H2,(H,18,19) |
| Isómeros SMILES | C1=C(OC(=C1)C(=O)O)COC2=C(C(=C(C(=C2F)F)F)F)F |
| PubChem CID | 660425 |
| Peso molecular | 308.16 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Furans |
| Subclass | Furoic acid and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Furoic acids |
| Alternative Parents | Phenoxy compounds Phenol ethers Fluorobenzenes Alkyl aryl ethers Aryl fluorides Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Furoic acid - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom. |
| External Descriptors | Not available |
| Peso molecular | 308.160 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 308.011 Da |
| Monoisotopic Mass | 308.011 Da |
| Topological Polar Surface Area | 59.700 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 369.000 |
| 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 |
![5-[(Pentafluorophenoxy)methyl]-2-furoic acid - ≥95% , CAS No.402727-83-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)