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 |