| CAS Number | 1394041-77-0 |
| Catalog Number | AG01A0H4(AGN-PC-0WOQDR) |
| Chemical Name | 3-(chloromethyl)-4-ethyl-5-methyl-4H-1,2,4-triazole hydrochloride |
| IUPAC Name | 3-(chloromethyl)-4-ethyl-5-methyl-1,2,4-triazole;hydrochloride |
| InChI | InChI=1S/C6H10ClN3.ClH/c1-3-10-5(2)8-9-6(10)4-7;/h3-4H2,1-2H3;1H |
| InChI Key | ITVRQYNFDDAJBK-UHFFFAOYSA-N |
| MDL Number | MFCD22378726 |
| Molecular Formula | C6H11Cl2N3 |
| Molecular Weight | 196.0776 |
| SMILES | Cl.CCN1C(CCl)=NN=C1C |
| Synonyms | 3-(chloromethyl)-4-ethyl-5-methyl-4H-1,2,4-triazole hydrochloride,
1394041-77-0,
AKOS026740978,
NE16909,
|
| Complexity | 109 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.075g/mol |
| Monoisotopic Mass | 195.033g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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