≥98% 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 | CN1CC2C(C1=O)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24 |
|---|---|
| IUPAC Name | (2S,6S)-17-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-3-one |
| InChIKey | OOUVAHYYJVOIIB-CZUORRHYSA-N |
| INCHI | 1S/C17H14ClNO2/c1-19-9-13-11-4-2-3-5-14(11)21-15-7-6-10(18)8-12(15)16(13)17(19)20/h2-8,13,16H,9H2,1H3/t13-,16-/m1/s1 |
| Isomeric SMILES | CN1C[C@H]2[C@H](C1=O)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24 |
| PubChem CID | 54753299 |
| Molecular Weight | 299.75 |
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 | Organoheterocyclic compounds |
| Class | Benzoxepines |
| Subclass | Dibenzoxepines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dibenzoxepines |
| Alternative Parents | Pyrrolidine-2-ones N-alkylpyrrolidines N-acyl amines Benzenoids Tertiary carboxylic acid amides Lactams Vinyl chlorides Oxacyclic compounds Ethers Chloroalkenes Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dibenzoxepine - Benzenoid - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - N-acyl-amine - Tertiary carboxylic acid amide - Pyrrolidine - Lactam - Carboxamide group - Oxacycle - Azacycle - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Ether - 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 dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring. |
| External Descriptors | Not available |
| Molecular Weight | 299.700 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 299.071 Da |
| Monoisotopic Mass | 299.071 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 429.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
![11-Chloro-2，3，3a，12b-tetrahydro-2-methyl-1H-dibenz[2，3:6，7]oxepino[4，5-c]pyrrol-1-one - ≥98% CAS No(129385-59-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/C/7/C733875.jpg)