| CAS Number | 1799681-96-1 |
| Catalog Number | AG0021IO |
| Chemical Name | Pyridine, 5-chloro-3-fluoro-2-[4-(2H-tetrazol-5-yl)phenoxy]- |
| IUPAC Name | 5-chloro-3-fluoro-2-[4-(2H-tetrazol-5-yl)phenoxy]pyridine |
| InChI | InChI=1S/C12H7ClFN5O/c13-8-5-10(14)12(15-6-8)20-9-3-1-7(2-4-9)11-16-18-19-17-11/h1-6H,(H,16,17,18,19) |
| InChI Key | OFJQIZJDPLXMGG-UHFFFAOYSA-N |
| MDL Number | MFCD30749448 |
| Molecular Formula | C12H7ClFN5O |
| Molecular Weight | 291.6683 |
| SMILES | N=1NN=NC1C1=CC=C(OC2=NC=C(C=C2F)Cl)C=C1 |
| Synonyms | 2-(4-(2H-tetrazol-5-yl)phenoxy)-5-chloro-3-fluoropyridine,
1799681-96-1,
SCHEMBL16855887,
ZINC584641184,
CS-0059863,
Pyridine, 5-chloro-3-fluoro-2-[4-(2H-tetrazol-5-yl)phenoxy]-,
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| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.67g/mol |
| Monoisotopic Mass | 291.032g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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