| Catalog Number | ACM70380302 |
| CAS | 70380-30-2 |
| IUPAC Name | 1-benzyl-4-(bromomethyl)triazole |
| Synonyms | 1-benzyl-4-(bromomethyl)triazole;70380-30-2;1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole;NSC283148;SCHEMBL2502451;1-benzyl-4-bromomethyl triazole;CHEMBL3229468;DTXSID30314425;ZINC1859255;AKOS011680941;NSC-283148;4-(bromomethyl)-1-(phenylmethyl)-1H-1,2,3-triazole;1H-1,2,3-Triazole, 4-(bromomethyl)-1-(phenylmethyl)- |
| Molecular Weight | 252.11g/mol |
| Molecular Formula | C10H10BrN3 |
| Canonical SMILES | C1=CC=C(C=C1)CN2C=C(N=N2)CBr |
| InChI | InChI=1S/C10H10BrN3/c11-6-10-8-14(13-12-10)7-9-4-2-1-3-5-9/h1-5,8H,6-7H2 |
| InChI Key | MAHBEDRCUGQEHK-UHFFFAOYSA-N |
| Complexity | 171 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 251.00581g/mol |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Monoisotopic Mass | 251.00581g/mol |
| NSC Number | 283148 |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30.7Ų |
| X Log P3 | 1.9 |