≥97% 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 | COC1=C(C=CC2=C1CCN2)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 4-methoxy-5-nitro-2,3-dihydro-1H-indole |
| InChIKey | CXPKRUKASSEDMI-UHFFFAOYSA-N |
| INCHI | 1S/C9H10N2O3/c1-14-9-6-4-5-10-7(6)2-3-8(9)11(12)13/h2-3,10H,4-5H2,1H3 |
| Isomeric SMILES | COC1=C(C=CC2=C1CCN2)[N+](=O)[O-] |
| PubChem CID | 68466066 |
| Molecular Weight | 194.19 |
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 | Indoles and derivatives |
| Subclass | Indolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolines |
| Alternative Parents | Nitroaromatic compounds Anisoles Secondary alkylarylamines Alkyl aryl ethers Pyrrolines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dihydroindole - Nitroaromatic compound - Anisole - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Benzenoid - Pyrroline - Organic nitro compound - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Ether - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic hyponitrite - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole. |
| External Descriptors | Not available |
| Molecular Weight | 194.190 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 194.069 Da |
| Monoisotopic Mass | 194.069 Da |
| Topological Polar Surface Area | 67.100 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 229.000 |
| 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 |
