| CAS Number | 1251354-15-0 |
| Catalog Number | AG01BUWZ |
| Chemical Name | 4-(2-chloroethyl)-1-methyl-1H-1,2,3-triazole |
| IUPAC Name | 4-(2-chloroethyl)-1-methyltriazole |
| InChI | InChI=1S/C5H8ClN3/c1-9-4-5(2-3-6)7-8-9/h4H,2-3H2,1H3 |
| InChI Key | JDFYKPBKXFLWRD-UHFFFAOYSA-N |
| MDL Number | MFCD16748270 |
| Molecular Formula | C5H8ClN3 |
| Molecular Weight | 145.5901 |
| SMILES | CN1N=NC(CCCl)=C1 |
| Synonyms | 4-(2-chloroethyl)-1-methyl-1H-1,2,3-triazole,
1251354-15-0,
ZINC52226575,
|
| Complexity | 88.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.59g/mol |
| Monoisotopic Mass | 145.041g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number