| CAS Number | 15284-37-4 |
| Catalog Number | AG01BTH3 |
| Chemical Name | 5-(2-chloroethyl)-1-methyl-1H-1,2,3,4-tetrazole |
| IUPAC Name | 5-(2-chloroethyl)-1-methyltetrazole |
| InChI | InChI=1S/C4H7ClN4/c1-9-4(2-3-5)6-7-8-9/h2-3H2,1H3 |
| InChI Key | GHSYPYXDDWJATG-UHFFFAOYSA-N |
| MDL Number | MFCD19234158 |
| Molecular Formula | C4H7ClN4 |
| Molecular Weight | 146.5782 |
| SMILES | CN1C(CCCl)=NN=N1 |
| Synonyms | 15284-37-4,
AKOS006383336,
ZINC104718577,
5-(2-chloroethyl)-1-methyl-1H-tetrazole,
5-(2-chloroethyl)-1-methyl-1H-1,2,3,4-tetrazole,
|
| Complexity | 88.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.578g/mol |
| Monoisotopic Mass | 146.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number