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.
| Sonrisas canónicas | CC(C)(C)OC(=O)NC1=C(C=C(C=C1)N)F |
|---|---|
| IUPAC Name | tert-butyl N-(4-amino-2-fluorophenyl)carbamate |
| InChIKey | WBYYPBQKOOBWAE-UHFFFAOYSA-N |
| INCHI | 1S/C11H15FN2O2/c1-11(2,3)16-10(15)14-9-5-4-7(13)6-8(9)12/h4-6H,13H2,1-3H3,(H,14,15) |
| Isómeros SMILES | CC(C)(C)OC(=O)NC1=C(C=C(C=C1)N)F |
| Peso molecular | 226.25 |
| Reaxy-Rn | 15706958 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15706958&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Phenylcarbamic acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylcarbamic acid esters |
| Alternative Parents | Aniline and substituted anilines Fluorobenzenes Aryl fluorides Carbamate esters Primary amines Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylcarbamic acid ester - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carbamic acid ester - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Descripción | 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 |
| Peso molecular | 226.250 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 226.112 Da |
| Monoisotopic Mass | 226.112 Da |
| Topological Polar Surface Area | 64.400 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 253.000 |
| 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 |
