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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.
| Kanonisches Lächeln | C1=CC=C(C(=C1)C2=NN(C(=N2)C3=CC=CC=C3O)C4=CC=C(C=C4)C(=O)O)O |
|---|---|
| IUPAC Name | 4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]-2,3,5,6-tetradeuteriobenzoic acid |
| InChIKey | BOFQWVMAQOTZIW-IRYCTXJYSA-N |
| INCHI | 1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28)/i9D,10D,11D,12D |
| Isomere SMILES | [2H]C1=C(C(=C(C(=C1C(=O)O)[2H])[2H])N2C(=NC(=N2)C3=CC=CC=C3O)C4=CC=CC=C4O)[2H] |
| Molekulargewicht | 377.39 |
| Reaxy-Rn | 8442898 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8442898&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
|---|---|
| Molekulargewicht | 377.400 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 377.131 Da |
| Monoisotopic Mass | 377.131 Da |
| Topological Polar Surface Area | 108.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 540.000 |
| Isotope Atom Count | 4 |
| 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 |