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≥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 | C1CC2=C(CC3=C1C=C(C=C3Br)Cl)N=CC(=C2)Br |
|---|---|
| IUPAC Name | 6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene |
| InChIKey | MLUVTRZDSIHGAD-UHFFFAOYSA-N |
| INCHI | 1S/C14H10Br2ClN/c15-10-3-9-2-1-8-4-11(17)5-13(16)12(8)6-14(9)18-7-10/h3-5,7H,1-2,6H2 |
| Isomeric SMILES | C1CC2=C(CC3=C1C=C(C=C3Br)Cl)N=CC(=C2)Br |
| PubChem CID | 10157048 |
| Molecular Weight | 387.49 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzocycloheptapyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzocycloheptapyridines |
| Alternative Parents | Pyridines and derivatives Benzenoids Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzocycloheptapyridine - Benzenoid - Pyridine - Aryl halide - Aryl chloride - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzocycloheptapyridines. These are aromatic compounds containing a benzene ring and a pyridine ring fused to a seven membered carbocycle. |
| External Descriptors | Not available |
| Molecular Weight | 387.490 g/mol |
|---|---|
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 386.885 Da |
| Monoisotopic Mass | 384.887 Da |
| Topological Polar Surface Area | 12.900 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 302.000 |
| 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 |