Determine the necessary mass, volume, or concentration for preparing a solution.
≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | C1=CC2=C(C=C1Cl)C3=C(N2CC(CNC(CO)(CO)CO)O)C=CC(=C3)Cl |
|---|---|
| IUPAC Name | 2-[[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]amino]-2-(hydroxymethyl)propane-1,3-diol |
| InChIKey | GETQKLUOZMYHGE-UHFFFAOYSA-N |
| INCHI | 1S/C19H22Cl2N2O4/c20-12-1-3-17-15(5-12)16-6-13(21)2-4-18(16)23(17)8-14(27)7-22-19(9-24,10-25)11-26/h1-6,14,22,24-27H,7-11H2 |
| Isomeric SMILES | C1=CC2=C(C=C1Cl)C3=C(N2CC(CNC(CO)(CO)CO)O)C=CC(=C3)Cl |
| WGK Germany | 3 |
| PubChem CID | 16451152 |
| Molecular Weight | 413.29 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Carbazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Carbazoles |
| Alternative Parents | N-alkylindoles Indoles Substituted pyrroles Benzenoids Aryl chlorides Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Primary alcohols Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Carbazole - N-alkylindole - Indole - Aryl chloride - Aryl halide - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Azacycle - Secondary aliphatic amine - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Organooxygen compound - Primary alcohol - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 413.300 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 412.096 Da |
| Monoisotopic Mass | 412.096 Da |
| Topological Polar Surface Area | 97.900 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 448.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |