≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)OC |
|---|---|
| IUPAC Name | 1-(4-methoxyphenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChIKey | DCFYSTOGYDLERQ-UHFFFAOYSA-N |
| INCHI | 1S/C20H25BN2O4/c1-19(2)20(3,4)27-21(26-19)14-7-6-8-16(13-14)23-18(24)22-15-9-11-17(25-5)12-10-15/h6-13H,1-5H3,(H2,22,23,24) |
| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)OC |
| PubChem CID | 54759091 |
| Molecular Weight | 368.2 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | N-phenylureas |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-phenylureas |
| Alternative Parents | Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Boronic acid esters Dioxaborolanes Ureas Oxacyclic compounds Organic metalloid salts Hydrocarbon derivatives Organoboron compounds Carbonyl compounds Organonitrogen compounds Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-phenylurea - Methoxyaniline - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Urea - Carbonic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Ether - Organic oxygen compound - Organoboron compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group. |
| External Descriptors | Not available |
| Molecular Weight | 368.200 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 368.191 Da |
| Monoisotopic Mass | 368.191 Da |
| Topological Polar Surface Area | 68.800 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 504.000 |
| 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 |
