≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F |
|---|---|
| IUPAC Name | benzyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate |
| InChIKey | XPCYDSDRORRCFT-UHFFFAOYSA-N |
| INCHI | 1S/C20H23BFNO4/c1-19(2)20(3,4)27-21(26-19)16-11-10-15(12-17(16)22)23-18(24)25-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3,(H,23,24) |
| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F |
| PubChem CID | 46738001 |
| Molecular Weight | 371.21 |
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 | Phenylcarbamic acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylcarbamic acid esters |
| Alternative Parents | Benzyloxycarbonyls Fluorobenzenes Aryl fluorides Dioxaborolanes Carbamate esters Boronic acid esters Oxacyclic compounds Organic metalloid salts Organonitrogen compounds Organometalloid compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylcarbamic acid ester - Benzyloxycarbonyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carbamic acid ester - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organic metalloid moeity - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids. |
| External Descriptors | Not available |
| Molecular Weight | 371.200 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 371.17 Da |
| Monoisotopic Mass | 371.17 Da |
| Topological Polar Surface Area | 56.800 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 508.000 |
| 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 |
