≥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.
| Sonrisas canónicas | CCCCN(C1=NN=C(S1)C2=CC=NC=C2)C(=O)C3=CC(=CC=C3)F |
|---|---|
| IUPAC Name | N-butyl-3-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide |
| InChIKey | QGTAWNDARKESDQ-UHFFFAOYSA-N |
| INCHI | 1S/C18H17FN4OS/c1-2-3-11-23(17(24)14-5-4-6-15(19)12-14)18-22-21-16(25-18)13-7-9-20-10-8-13/h4-10,12H,2-3,11H2,1H3 |
| Peso molecular | 356.400 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Halobenzoic acids and derivatives |
| Direct Parent | 3-halobenzoic acids and derivatives |
| Alternative Parents | Benzamides Benzoyl derivatives Fluorobenzenes Pyridines and derivatives Aryl fluorides Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-halobenzoic acid or derivatives - Benzamide - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Pyridine - Azole - Heteroaromatic compound - Thiadiazole - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 356.400 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 356.111 Da |
| Monoisotopic Mass | 356.111 Da |
| Topological Polar Surface Area | 87.200 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 435.000 |
| 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 |
