| CAS Number | 1428233-50-4 |
| Catalog Number | AG01BK0C |
| Chemical Name | 2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)pyridine |
| IUPAC Name | 2-chloro-4-(tetrazol-1-yl)pyridine |
| InChI | InChI=1S/C6H4ClN5/c7-6-3-5(1-2-8-6)12-4-9-10-11-12/h1-4H |
| InChI Key | BVBFXHVFXKMANR-UHFFFAOYSA-N |
| MDL Number | MFCD24387765 |
| Molecular Formula | C6H4ClN5 |
| Molecular Weight | 181.5825 |
| SMILES | ClC1=NC=CC(N2N=NN=C2)=C1 |
| Synonyms | 2-chloro-4-(1H-tetrazol-1-yl)pyridine,
1428233-50-4,
ZINC90397499,
AKOS026718301,
2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)pyridine,
F2158-1621,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.583g/mol |
| Monoisotopic Mass | 181.016g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number