≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | B(C1=CC(=CC=C1)CNC(=O)OC(C)(C)C)(O)O |
|---|---|
| IUPAC Name | [3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid |
| InChIKey | YHAQUGOSDQZIMA-UHFFFAOYSA-N |
| INCHI | 1S/C12H18BNO4/c1-12(2,3)18-11(15)14-8-9-5-4-6-10(7-9)13(16)17/h4-7,16-17H,8H2,1-3H3,(H,14,15) |
| Isomeric SMILES | B(C1=CC(=CC=C1)CNC(=O)OC(C)(C)C)(O)O |
| Molecular Weight | 251.09 |
| Reaxy-Rn | 7816108 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7816108&ln= |
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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Carbamate esters Boronic acids Organic metalloid salts Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Carbamic acid ester - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2514333 | Certificate of Analysis | Jul 04, 2024 | N182527 |
| C2514373 | Certificate of Analysis | Jul 04, 2024 | N182527 |
| I2419625 | Certificate of Analysis | Jun 13, 2024 | N182527 |
| I2419631 | Certificate of Analysis | Jun 13, 2024 | N182527 |
| I2419632 | Certificate of Analysis | Jun 13, 2024 | N182527 |
| I2419633 | Certificate of Analysis | Jun 13, 2024 | N182527 |
| I2419634 | Certificate of Analysis | Jun 13, 2024 | N182527 |
| I2419635 | Certificate of Analysis | Jun 13, 2024 | N182527 |
| I2419636 | Certificate of Analysis | Jun 13, 2024 | N182527 |
| I2419637 | Certificate of Analysis | Jun 13, 2024 | N182527 |
| Melt Point(°C) | 188-190℃ |
|---|---|
| Molecular Weight | 251.090 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 251.133 Da |
| Monoisotopic Mass | 251.133 Da |
| Topological Polar Surface Area | 78.800 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 278.000 |
| 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 |
