≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CC(C)C1=C2C=C(C(=CC2=NN1)OCC3=CC=CC=C3)C4=NN=C(N4C5=CC=C(C=C5)Br)C(=O)NC(C)C |
|---|---|
| IUPAC Name | 4-(4-bromophenyl)-5-(6-phenylmethoxy-3-propan-2-yl-2H-indazol-5-yl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide |
| InChIKey | NUJYZDATLKYUQG-UHFFFAOYSA-N |
| INCHI | 1S/C29H29BrN6O2/c1-17(2)26-22-14-23(25(15-24(22)32-33-26)38-16-19-8-6-5-7-9-19)27-34-35-28(29(37)31-18(3)4)36(27)21-12-10-20(30)11-13-21/h5-15,17-18H,16H2,1-4H3,(H,31,37)(H,32,33) |
| Molecular Weight | 573.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Phenyltriazoles |
| Direct Parent | Phenyl-1,2,4-triazoles |
| Alternative Parents | Indazoles Phenol ethers 2-heteroaryl carboxamides Bromobenzenes Alkyl aryl ethers Aryl bromides Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenyl-1,2,4-triazole - Benzopyrazole - Indazole - 2-heteroaryl carboxamide - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 573.500 g/mol |
|---|---|
| XLogP3 | 6.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 572.154 Da |
| Monoisotopic Mass | 572.154 Da |
| Topological Polar Surface Area | 97.700 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 772.000 |
| 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 |
