≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| ALogP | 1.9 |
|---|
| Canonical Smiles | CCOC(=O)C1=C(C2=CC=CN2N=C1)Cl |
|---|---|
| InChIKey | UTXYKDLFJFGLBQ-UHFFFAOYSA-N |
| INCHI | 1S/C10H9ClN2O2/c1-2-15-10(14)7-6-12-13-5-3-4-8(13)9(7)11/h3-6H,2H2,1H3 |
| Isomeric SMILES | CCOC(=O)C1=C(C2=CC=CN2N=C1)Cl |
| PubChem CID | 67965620 |
| Molecular Weight | 224.64 |
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 | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid esters |
| Alternative Parents | Substituted pyrroles Pyridazines and derivatives Vinylogous halides Heteroaromatic compounds Enoate esters Vinyl chlorides Monocarboxylic acids and derivatives Hydrazones Chloroalkenes Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Fatty acid ester - Substituted pyrrole - Pyridazine - Heteroaromatic compound - Vinylogous halide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Monocarboxylic acid or derivatives - Hydrazone - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. |
| External Descriptors | Not available |
| Molecular Weight | 224.640 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 224.035 Da |
| Monoisotopic Mass | 224.035 Da |
| Topological Polar Surface Area | 43.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 250.000 |
| 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 |
![ethyl 4-chloropyrrolo[1,2-b]pyridazine-3-carboxylate - ≥97% CAS No(1400688-74-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/E/6/E678895.jpg)