| CAS Number | 1803601-21-9 |
| Catalog Number | AG01B9I9 |
| Chemical Name | 4-(Chloromethyl)-1H-1,2,3-triazole hydrochloride |
| IUPAC Name | 4-(chloromethyl)-2H-triazole;hydrochloride |
| InChI | InChI=1S/C3H4ClN3.ClH/c4-1-3-2-5-7-6-3;/h2H,1H2,(H,5,6,7);1H |
| InChI Key | MKCKJMICTQSOKQ-UHFFFAOYSA-N |
| MDL Number | MFCD28383879 |
| Molecular Formula | C3H5Cl2N3 |
| Molecular Weight | 153.9979 |
| SMILES | Cl.ClCC1N=NNC=1 |
| Synonyms | 4-(chloromethyl)-1H-1,2,3-triazole hydrochloride,
1803601-21-9,
AKOS025392023,
|
| Complexity | 58.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.994g/mol |
| Monoisotopic Mass | 152.986g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number