≥90% 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 | C1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)Cl)CC(C(F)(F)F)O |
|---|---|
| IUPAC Name | 1-[(4-chlorophenyl)methyl]-3-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea |
| InChIKey | WDWBNWIFPHIYHQ-UHFFFAOYSA-N |
| INCHI | 1S/C17H16ClF3N2O2/c18-13-8-6-12(7-9-13)10-23(11-15(24)17(19,20)21)16(25)22-14-4-2-1-3-5-14/h1-9,15,24H,10-11H2,(H,22,25) |
| Isomeric SMILES | C1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)Cl)CC(C(F)(F)F)O |
| PubChem CID | 3806234 |
| Molecular Weight | 372.77 |
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 | Chlorobenzenes Aryl chlorides Ureas Secondary alcohols Fluorohydrins Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | N-phenylurea - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Secondary alcohol - Urea - Fluorohydrin - Halohydrin - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxide - Organofluoride - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Alkyl fluoride - Alcohol - Alkyl halide - Organooxygen compound - Aromatic homomonocyclic 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 | 372.800 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 372.085 Da |
| Monoisotopic Mass | 372.085 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 423.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
