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≥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 | C1C2=C(C(CN1CC3=CC=CC=C3)(F)F)N=C(N=C2Cl)Cl |
|---|---|
| IUPAC Name | 6-benzyl-2,4-dichloro-8,8-difluoro-5,7-dihydropyrido[4,3-d]pyrimidine |
| InChIKey | IIFCHNCTXPIASW-UHFFFAOYSA-N |
| INCHI | 1S/C14H11Cl2F2N3/c15-12-10-7-21(6-9-4-2-1-3-5-9)8-14(17,18)11(10)19-13(16)20-12/h1-5H,6-8H2 |
| Isomeric SMILES | C1C2=C(C(CN1CC3=CC=CC=C3)(F)F)N=C(N=C2Cl)Cl |
| Alternate CAS | 1255666-47-7 |
| PubChem CID | 97357082 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 330.200 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 329.03 Da |
| Monoisotopic Mass | 329.03 Da |
| Topological Polar Surface Area | 29.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 366.000 |
| 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 |