≥95% 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 | COC(=O)C1=CC(=C(C=C1)N=CC2=C(N=CC=C2)Cl)F |
|---|---|
| IUPAC Name | methyl 4-[(2-chloropyridin-3-yl)methylideneamino]-3-fluorobenzoate |
| InChIKey | DSMBOIXJZDVGKD-UHFFFAOYSA-N |
| INCHI | 1S/C14H10ClFN2O2/c1-20-14(19)9-4-5-12(11(16)7-9)18-8-10-3-2-6-17-13(10)15/h2-8H,1H3 |
| Isomeric SMILES | COC(=O)C1=CC(=C(C=C1)N=CC2=C(N=CC=C2)Cl)F |
| PubChem CID | 56773413 |
| Molecular Weight | 292.7 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | 3-halobenzoic acids and derivatives Benzoyl derivatives 2-halopyridines Fluorobenzenes Aryl chlorides Aryl fluorides Methyl esters Heteroaromatic compounds Shiff bases Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organooxygen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzoate ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoyl - 2-halopyridine - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Shiff base - Aldimine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Imine - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| External Descriptors | Not available |
| Molecular Weight | 292.690 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 292.041 Da |
| Monoisotopic Mass | 292.041 Da |
| Topological Polar Surface Area | 51.600 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 367.000 |
| 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-[(E)-[(2-chloropyridin-3-yl)methylidene]amino]-3-fluorobenzoate - ≥95% , CAS No.1296225-23-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)