| CAS Number | 1196152-14-3 |
| Catalog Number | AG01FLYW(AGN-PC-3H5M3I) |
| Chemical Name | Pyridine, 2-chloro-4-(2H-tetrazol-5-yl)- |
| IUPAC Name | 2-chloro-4-(2H-tetrazol-5-yl)pyridine |
| InChI | InChI=1S/C6H4ClN5/c7-5-3-4(1-2-8-5)6-9-11-12-10-6/h1-3H,(H,9,10,11,12) |
| InChI Key | KUXZJLQJVCDQRG-UHFFFAOYSA-N |
| MDL Number | MFCD20278163 |
| Molecular Formula | C6H4ClN5 |
| Molecular Weight | 181.5825 |
| SMILES | Clc1nccc(c1)c1nnn[nH]1 |
| Synonyms | 2-chloro-4-(1H-tetrazol-5-yl)pyridine,
1196152-14-3,
2-Chloro-4-(1H-tetrazole-5-yl)pyridine,
ZINC90397510,
AKOS026718303,
AB56497,
2-CHLORO-4-(2H-TETRAZOL-5-YL)-PYRIDINE,
F2158-1623,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.583g/mol |
| Monoisotopic Mass | 181.016g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number