1-(6-Bromohexyl)-1,2,4-triazole - CAS 1227481-33-5
Catalog: |
BB005478 |
Product Name: |
1-(6-Bromohexyl)-1,2,4-triazole |
CAS: |
1227481-33-5 |
Synonyms: |
1-(6-bromohexyl)-1,2,4-triazole; 1-(6-bromohexyl)-1,2,4-triazole |
IUPAC Name: | 1-(6-bromohexyl)-1,2,4-triazole |
Description: | 1-(6-Bromohexyl)-1,2,4-triazole (CAS# 1227481-33-5 ) is a useful research chemical. |
Molecular Weight: | 232.12 |
Molecular Formula: | C8H14BrN3 |
Canonical SMILES: | C1=NN(C=N1)CCCCCCBr |
InChI: | InChI=1S/C8H14BrN3/c9-5-3-1-2-4-6-12-8-10-7-11-12/h7-8H,1-6H2 |
InChI Key: | CEBTWXLTEBLRJK-UHFFFAOYSA-N |
Complexity: | 111 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.03711 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.03711 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 30.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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