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≥98% 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 | CCC(C)N1C=C(C2=C(C=C(C=C21)Br)C(=O)O)C |
|---|---|
| IUPAC Name | 6-bromo-1-butan-2-yl-3-methylindole-4-carboxylic acid |
| InChIKey | CHASPSXISNLSOM-UHFFFAOYSA-N |
| INCHI | 1S/C14H16BrNO2/c1-4-9(3)16-7-8(2)13-11(14(17)18)5-10(15)6-12(13)16/h5-7,9H,4H2,1-3H3,(H,17,18) |
| Isomeric SMILES | CCC(C)N1C=C(C2=C(C=C(C=C21)Br)C(=O)O)C |
| PubChem CID | 67465322 |
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 →| Molecular Weight | 310.190 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 309.036 Da |
| Monoisotopic Mass | 309.036 Da |
| Topological Polar Surface Area | 42.200 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 323.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |