≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Argon charged Ships Ice chest + Ice pads 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 | C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CC=O |
|---|---|
| InChIKey | YFPBRFBNKDLVNJ-UHFFFAOYSA-N |
| INCHI | 1S/C16H13NO/c18-11-10-14-13-8-4-5-9-15(13)17-16(14)12-6-2-1-3-7-12/h1-9,11,17H,10H2 |
| Isomeric SMILES | C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CC=O |
| Molecular Weight | 235.28 |
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 | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-phenylindoles |
| Alternative Parents | Phenylpyrroles 3-alkylindoles Benzene and substituted derivatives Heteroaromatic compounds Alpha-hydrogen aldehydes Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-phenylindole - 2-phenylpyrrole - 3-alkylindole - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Alpha-hydrogen aldehyde - Pyrrole - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-phenylindoles. These are indoles substituted at the 2-position with a phenyl group. |
| External Descriptors | Not available |
| Boil Point(°C) | 476.8±33.0°C(Predicted) |
|---|---|
| Molecular Weight | 235.280 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 235.1 Da |
| Monoisotopic Mass | 235.1 Da |
| Topological Polar Surface Area | 32.900 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 285.000 |
| 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 |
