sublimed grade, ≥99% Sublimed grade 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 | B1(N2C3=C4C=CC=CC4=C2N=C5N1C(=NC6=NC(=N3)C7=CC=CC=C76)C8=CC=CC=C85)Cl |
|---|---|
| IUPAC Name | 12-chloro-2,11,13,22,30,31-hexaza-12-boraoctacyclo[21.6.1.110,14.03,11.04,9.013,21.015,20.024,29]hentriaconta-1,3,5,7,9,14(31),15,17,19,21,23(30),24,26,28-tetradecaene |
| InChIKey | IFJKCEPOUBWFFD-UHFFFAOYSA-N |
| INCHI | 1S/C24H12BClN6/c26-25-31-21-15-9-3-5-11-17(15)23(31)30-24-18-12-6-4-10-16(18)22(32(24)25)29-20-14-8-2-1-7-13(14)19(27-20)28-21/h1-12H |
| Isomeric SMILES | B1(N2C3=C4C=CC=CC4=C2N=C5N1C(=NC6=NC(=N3)C7=CC=CC=C76)C8=CC=CC=C85)Cl |
| Molecular Weight | 430.66 |
| Reaxy-Rn | 20026089 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20026089&ln= |
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 | Isoindoles and derivatives |
| Subclass | Isoindoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoindoles |
| Alternative Parents | Imidolactams Benzenoids Pyrroles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoindole - Imidolactam - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic metalloid salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoindoles. These are heteropolycyclic compounds with a structure containing isoindole, a benzo-fused pyrrole. |
| External Descriptors | Not available |
| Molecular Weight | 430.700 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 430.091 Da |
| Monoisotopic Mass | 430.091 Da |
| Topological Polar Surface Area | 57.600 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 903.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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