≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Pubchem Sid | 504758300 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758300 |
| Canonical Smiles | CCOC(=O)C1=CC2=C(N1)C=CC=C2[N+](=O)[O-] |
| IUPAC Name | ethyl 4-nitro-1H-indole-2-carboxylate |
| InChIKey | LXUABEANNNKOLF-UHFFFAOYSA-N |
| INCHI | 1S/C11H10N2O4/c1-2-17-11(14)9-6-7-8(12-9)4-3-5-10(7)13(15)16/h3-6,12H,2H2,1H3 |
| Isomeric SMILES | CCOC(=O)C1=CC2=C(N1)C=CC=C2[N+](=O)[O-] |
| Molecular Weight | 234.21 |
| Reaxy-Rn | 234212 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=234212&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 | Indoles and derivatives |
| Subclass | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxylic acids and derivatives |
| Alternative Parents | Indoles Pyrrole carboxylic acids and derivatives Nitroaromatic compounds Substituted pyrroles Benzenoids Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxylic acid derivative - Indole - Nitroaromatic compound - Pyrrole-2-carboxylic acid or derivatives - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2521080 | Certificate of Analysis | Dec 02, 2025 | E331013 |
| H2206573 | Certificate of Analysis | May 12, 2025 | E331013 |
| H2206580 | Certificate of Analysis | May 12, 2025 | E331013 |
| H2206581 | Certificate of Analysis | May 12, 2025 | E331013 |
| H2206835 | Certificate of Analysis | May 12, 2025 | E331013 |
| Molecular Weight | 234.210 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 234.064 Da |
| Monoisotopic Mass | 234.064 Da |
| Topological Polar Surface Area | 87.900 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 315.000 |
| 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 |
