| CAS Number | 1609403-28-2 |
| Catalog Number | AG00J22G |
| Chemical Name | 1-(2-chloro-1-methylethyl)-1H-1,2,4-triazole hydrochloride |
| IUPAC Name | 1-(1-chloropropan-2-yl)-1,2,4-triazole;hydrochloride |
| InChI | InChI=1S/C5H8ClN3.ClH/c1-5(2-6)9-4-7-3-8-9;/h3-5H,2H2,1H3;1H |
| InChI Key | YKMAANCTMXUSJA-UHFFFAOYSA-N |
| MDL Number | MFCD26959678 |
| Molecular Formula | C5H9Cl2N3 |
| Molecular Weight | 182.0511 |
| SMILES | N1(C(C)CCl)C=NC=N1.Cl |
| Synonyms | 1-(2-CHLORO-1-METHYLETHYL)-1H-1,2,4-TRIAZOLE HYDROCHLORIDE,
1609403-28-2,
ZX-CM007700,
MFCD26959678,
1209633-46-4,
|
| Complexity | 88.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.048g/mol |
| Monoisotopic Mass | 181.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number