≥98% 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 | CN1C=NC2=C1C=C(C(=C2F)NC3=CC=CC=C3)C(=O)OC |
|---|---|
| IUPAC Name | methyl 6-anilino-7-fluoro-3-methylbenzimidazole-5-carboxylate |
| InChIKey | QKGGOULHLAXMCL-UHFFFAOYSA-N |
| INCHI | 1S/C16H14FN3O2/c1-20-9-18-15-12(20)8-11(16(21)22-2)14(13(15)17)19-10-6-4-3-5-7-10/h3-9,19H,1-2H3 |
| Isomeric SMILES | CN1C=NC2=C1C=C(C(=C2F)NC3=CC=CC=C3)C(=O)OC |
| PubChem CID | 59336217 |
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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Halobenzoic acids and derivatives |
| Direct Parent | 3-halobenzoic acids and derivatives |
| Alternative Parents | Benzimidazoles Aniline and substituted anilines Primary aromatic amines N-substituted imidazoles Aryl fluorides Vinylogous amides Methyl esters Heteroaromatic compounds Amino acids and derivatives Secondary amines Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-halobenzoic acid or derivatives - Benzimidazole - Aniline or substituted anilines - Aryl fluoride - Aryl halide - Primary aromatic amine - N-substituted imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Methyl ester - Imidazole - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 299.300 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 299.107 Da |
| Monoisotopic Mass | 299.107 Da |
| Topological Polar Surface Area | 56.200 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 403.000 |
| 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 |
![methyl 4-fluoro-1-methyl-5-(phenylamino)-1H-benzo[d]imidazole-6-carboxylate - ≥98% , CAS No.1415564-48-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)