≥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 | COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)NC5=CC(=CC=C5)[N+](=O)[O-])O |
|---|---|
| IUPAC Name | 3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide |
| InChIKey | GLZGTQYOWXFUNZ-UHFFFAOYSA-N |
| INCHI | 1S/C31H23N5O6/c1-42-27-15-14-20(30(38)32-21-9-3-2-4-10-21)17-26(27)34-35-28-24-13-6-5-8-19(24)16-25(29(28)37)31(39)33-22-11-7-12-23(18-22)36(40)41/h2-18,37H,1H3,(H,32,38)(H,33,39) |
| Isomeric SMILES | COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)NC5=CC(=CC=C5)[N+](=O)[O-])O |
| Alternate CAS | 6448-96-0 |
| PubChem CID | 80926 |
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 | Benzenoids |
| Class | Naphthalenes |
| Subclass | Naphthols and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthols and derivatives |
| Alternative Parents | Nitrobenzenes Methoxyanilines Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Alkyl aryl ethers Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboximidic acids Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 2-naphthol - Methoxyaniline - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position. |
| External Descriptors | Not available |
| Molecular Weight | 561.500 g/mol |
|---|---|
| XLogP3 | 6.600 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 561.165 Da |
| Monoisotopic Mass | 561.165 Da |
| Topological Polar Surface Area | 158.000 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 968.000 |
| 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 |
