≥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 | CN1C=NC2=C1C=C(C(=C2F)N)C(=O)OC |
|---|---|
| IUPAC Name | methyl 6-amino-7-fluoro-3-methylbenzimidazole-5-carboxylate |
| InChIKey | LDEVURKKVDBRLD-UHFFFAOYSA-N |
| INCHI | 1S/C10H10FN3O2/c1-14-4-13-9-6(14)3-5(10(15)16-2)8(12)7(9)11/h3-4H,12H2,1-2H3 |
| Isómeros SMILES | CN1C=NC2=C1C=C(C(=C2F)N)C(=O)OC |
| PubChem CID | 59365496 |
| Peso molecular | 223.21 |
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 |
| 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 | Benzimidazoles N-substituted imidazoles Aryl fluorides Vinylogous amides Methyl esters Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-halobenzoic acid or derivatives - Benzimidazole - Aryl fluoride - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Methyl ester - Imidazole - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic 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 | 223.200 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 223.076 Da |
| Monoisotopic Mass | 223.076 Da |
| Topological Polar Surface Area | 70.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 289.000 |
| 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 5-amino-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylate - ≥97% CAS No(918321-20-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/7/M734430.jpg)