| CAS Number | 1700118-39-3 |
| Catalog Number | AG01BCWO(AGN-PC-0WOV9Z) |
| Chemical Name | 5-(1-chloroethyl)-1-cyclopropyl-1H-1,2,3,4-tetrazole |
| IUPAC Name | 5-(1-chloroethyl)-1-cyclopropyltetrazole |
| InChI | InChI=1S/C6H9ClN4/c1-4(7)6-8-9-10-11(6)5-2-3-5/h4-5H,2-3H2,1H3 |
| InChI Key | DDBQECGXKYFQCZ-UHFFFAOYSA-N |
| MDL Number | MFCD28023757 |
| Molecular Formula | C6H9ClN4 |
| Molecular Weight | 172.6155 |
| SMILES | CC(C1N(C2CC2)N=NN=1)Cl |
| Synonyms | 5-(1-chloroethyl)-1-cyclopropyl-1H-1,2,3,4-tetrazole,
1700118-39-3,
AKOS026744368,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.616g/mol |
| Monoisotopic Mass | 172.052g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number