| CAS Number | 1314973-93-7 |
| Catalog Number | AG01AL1I |
| Chemical Name | 4-(Chloromethyl)-2-methyl-2H-1,2,3-triazole |
| IUPAC Name | 4-(chloromethyl)-2-methyltriazole |
| InChI | InChI=1S/C4H6ClN3/c1-8-6-3-4(2-5)7-8/h3H,2H2,1H3 |
| InChI Key | IHGLZCNUAQYSOM-UHFFFAOYSA-N |
| MDL Number | MFCD19236455 |
| Molecular Formula | C4H6ClN3 |
| Molecular Weight | 131.5635 |
| SMILES | CN1N=C(CCl)C=N1 |
| Synonyms | 4-(Chloromethyl)-2-methyl-2H-1,2,3-triazole,
1314973-93-7,
SCHEMBL5845770,
IHGLZCNUAQYSOM-UHFFFAOYSA-N,
5-(chloromethyl)-2-methyltriazole,
ZINC85400312,
AKOS006375218,
|
| Complexity | 77.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.563g/mol |
| Monoisotopic Mass | 131.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number