| Sonrisas canónicas | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)OC)C#N |
|---|---|
| IUPAC Name | 5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| InChIKey | RMJHQHSCNOVZLH-UHFFFAOYSA-N |
| INCHI | 1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)12-7-6-11(17-5)8-10(12)9-16/h6-8H,1-5H3 |
| Peso molecular | 259.11 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Nitriles Organometalloid compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Alkyl aryl ether - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Organoheterocyclic compound - Nitrile - Carbonitrile - Ether - Organic metalloid salt - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Organic nitrogen compound - Cyanide - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| External Descriptors | Not available |
| Peso molecular | 259.110 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 259.138 Da |
| Monoisotopic Mass | 259.138 Da |
| Topological Polar Surface Area | 51.500 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 371.000 |
| 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 |
