| Sonrisas canónicas | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)O)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
| InChIKey | YCZPFDHFMRUGAF-UHFFFAOYSA-N |
| INCHI | 1S/C12H16BNO5/c1-11(2)12(3,4)19-13(18-11)8-5-6-10(15)9(7-8)14(16)17/h5-7,15H,1-4H3 |
| Isómeros SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)O)[N+](=O)[O-] |
| Peso molecular | 265.07 |
| Reaxy-Rn | 28083914 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28083914&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Phenols |
| Subclass | Nitrophenols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrophenols |
| Alternative Parents | Nitrobenzenes Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Boronic acid esters Dioxaborolanes Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic metalloid salts Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Organometalloid compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitrophenol - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - C-nitro compound - Organic nitro compound - Oxacycle - Organic metalloid salt - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Organic metalloid moeity - Organic nitrogen compound - Organooxygen compound - Organic zwitterion - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Aromatic heteromonocyclic compound |
| Descripción | 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 |
| Peso molecular | 265.070 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 265.112 Da |
| Monoisotopic Mass | 265.112 Da |
| Topological Polar Surface Area | 84.500 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 352.000 |
| 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 |
