| Sonrisas canónicas | B(C1=CC(=C(C=C1)OCOC)Cl)(O)O |
|---|---|
| IUPAC Name | [3-chloro-4-(methoxymethoxy)phenyl]boronic acid |
| InChIKey | ISTZDEQGOZACDO-UHFFFAOYSA-N |
| INCHI | 1S/C8H10BClO4/c1-13-5-14-8-3-2-6(9(11)12)4-7(8)10/h2-4,11-12H,5H2,1H3 |
| Isómeros SMILES | B(C1=CC(=C(C=C1)OCOC)Cl)(O)O |
| PubChem CID | 57497322 |
| Peso molecular | 216.42 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Chlorobenzenes Aryl chlorides Boronic acids Organic metalloid salts Acetals Organometalloid compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Acetal - Organic metalloid salt - Organic metalloid moeity - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 216.430 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 216.036 Da |
| Monoisotopic Mass | 216.036 Da |
| Topological Polar Surface Area | 58.900 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 169.000 |
| 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 |
![[3-Chloro-4-(methoxymethoxy)phenyl]boronic acid - ≥97% , CAS No.1451392-27-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)