| CAS Number | 1443980-82-2 |
| Catalog Number | AG00J2J0(AGN-PC-0WB71D) |
| Chemical Name | 3-(chloromethyl)-5-ethyl-1H-1,2,4-triazole hydrochloride |
| IUPAC Name | 5-(chloromethyl)-3-ethyl-1H-1,2,4-triazole;hydrochloride |
| InChI | InChI=1S/C5H8ClN3.ClH/c1-2-4-7-5(3-6)9-8-4;/h2-3H2,1H3,(H,7,8,9);1H |
| InChI Key | BVBQLKISRUCRQA-UHFFFAOYSA-N |
| MDL Number | MFCD24842856 |
| Molecular Formula | C5H9Cl2N3 |
| Molecular Weight | 182.0511 |
| SMILES | N1=C(CC)NN=C1CCl.Cl |
| Synonyms | 3-(chloromethyl)-5-ethyl-1H-1,2,4-triazole hydrochloride,
1443980-82-2,
MFCD24842856,
AKOS026727700,
NE17147,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.048g/mol |
| Monoisotopic Mass | 181.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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