2-(2-Bromoethyl)-2H-1,2,3-triazole - CAS 1260901-96-9
Catalog: |
BB006441 |
Product Name: |
2-(2-Bromoethyl)-2H-1,2,3-triazole |
CAS: |
1260901-96-9 |
Synonyms: |
2-(2-bromoethyl)triazole; 2-(2-bromoethyl)triazole |
IUPAC Name: | 2-(2-bromoethyl)triazole |
Description: | 2-(2-Bromoethyl)-2H-1,2,3-triazole (CAS# 1260901-96-9) is a useful research chemical. |
Molecular Weight: | 176.01 |
Molecular Formula: | C4H6BrN3 |
Canonical SMILES: | C1=NN(N=C1)CCBr |
InChI: | InChI=1S/C4H6BrN3/c5-1-4-8-6-2-3-7-8/h2-3H,1,4H2 |
InChI Key: | PHXQLUBRRXUBQK-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 0.67300 |
Publication Number | Title | Priority Date |
WO-2021100745-A1 | Oxadiazole compound and germicide for agricultural and horticultural use | 20191121 |
Complexity: | 62.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.97451 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.97451 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 30.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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