| CAS Number | 925698-99-3 |
| Catalog Number | AG01DWUZ |
| Chemical Name | 5-[(2,4-difluorophenyl)methyl]-1H-1,2,3,4-tetrazole |
| IUPAC Name | 5-[(2,4-difluorophenyl)methyl]-2H-tetrazole |
| InChI | InChI=1S/C8H6F2N4/c9-6-2-1-5(7(10)4-6)3-8-11-13-14-12-8/h1-2,4H,3H2,(H,11,12,13,14) |
| InChI Key | AJSDIMVQQSJLOQ-UHFFFAOYSA-N |
| MDL Number | MFCD16691340 |
| Molecular Formula | C8H6F2N4 |
| Molecular Weight | 196.1568 |
| SMILES | FC1=CC(F)=C(CC2NN=NN=2)C=C1 |
| Synonyms | AKOS011478822,
5-[(2,4-difluorophenyl)methyl]-1H-1,2,3,4-tetrazole,
925698-99-3,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.161g/mol |
| Monoisotopic Mass | 196.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number