| CAS Number | 1909317-23-2 |
| Catalog Number | AG01C3QU |
| Chemical Name | 1-benzyl-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid hydrochloride |
| IUPAC Name | 1-benzyl-5-ethyltriazole-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C12H13N3O2.ClH/c1-2-10-11(12(16)17)13-14-15(10)8-9-6-4-3-5-7-9;/h3-7H,2,8H2,1H3,(H,16,17);1H |
| InChI Key | YGBVQTKOVOCXMA-UHFFFAOYSA-N |
| MDL Number | MFCD29762854 |
| Molecular Formula | C12H14ClN3O2 |
| Molecular Weight | 267.7115 |
| SMILES | Cl.CCC1N(CC2=CC=CC=C2)N=NC=1C(O)=O |
| Synonyms | 1909317-23-2,
1-benzyl-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid hydrochloride,
Z2350905468,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.713g/mol |
| Monoisotopic Mass | 267.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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