| CAS Number | 1417355-34-0 |
| Catalog Number | AG00J2QE(AGN-PC-0WB71G) |
| Chemical Name | 4-(2-Bromoethyl)-3-methyl-4H-1,2,4-triazole hydrobromide |
| IUPAC Name | 4-(2-bromoethyl)-3-methyl-1,2,4-triazole;hydrobromide |
| InChI | InChI=1S/C5H8BrN3.BrH/c1-5-8-7-4-9(5)3-2-6;/h4H,2-3H2,1H3;1H |
| InChI Key | REJIAHMOHFCMNW-UHFFFAOYSA-N |
| MDL Number | MFCD27756487 |
| Molecular Formula | C5H9Br2N3 |
| Molecular Weight | 270.9531 |
| SMILES | N1(CCBr)C=NN=C1C.Br |
| Synonyms | 4-(2-BROMOETHYL)-3-METHYL-4H-1,2,4-TRIAZOLE HYDROBROMIDE,
1417355-34-0,
ZX-CM010402,
MFCD27756487,
AKOS027426430,
T5786,
4045641-25G,
|
| Complexity | 88.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.914g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.956g/mol |
| Monoisotopic Mass | 268.916g/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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