| CAS Number | 1417360-85-0 |
| Catalog Number | AG00J2R3(AGN-PC-0WB73J) |
| Chemical Name | 4-(2-Bromoethyl)-4H-1,2,4-triazole hydrobromide |
| IUPAC Name | 4-(2-bromoethyl)-1,2,4-triazole;hydrobromide |
| InChI | InChI=1S/C4H6BrN3.BrH/c5-1-2-8-3-6-7-4-8;/h3-4H,1-2H2;1H |
| InChI Key | NONIPWLLQMFDAU-UHFFFAOYSA-N |
| MDL Number | MFCD27756482 |
| Molecular Formula | C4H7Br2N3 |
| Molecular Weight | 256.9265 |
| SMILES | N1(CCBr)C=NN=C1.Br |
| Synonyms | 4-(2-BROMOETHYL)-4H-1,2,4-TRIAZOLE HYDROBROMIDE,
1417360-85-0,
ZX-CM010448,
MFCD27756482,
AKOS027426431,
T5781,
4045743-25G,
4-(2-Bromoethyl)-4H-1,2,4-triazole hydrobromide, AldrichCPR,
|
| Complexity | 62.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.899g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.929g/mol |
| Monoisotopic Mass | 254.901g/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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Certificate of Analysis
Lot Number