1-(4-Bromobutyl)-1,2,4-triazole - CAS 1094698-00-6
Catalog: |
BB002490 |
Product Name: |
1-(4-Bromobutyl)-1,2,4-triazole |
CAS: |
1094698-00-6 |
Synonyms: |
1-(4-bromobutyl)-1,2,4-triazole; 1-(4-bromobutyl)-1,2,4-triazole |
IUPAC Name: | 1-(4-bromobutyl)-1,2,4-triazole |
Description: | 1-(4-Bromobutyl)-1,2,4-triazole (CAS# 1094698-00-6 ) is a useful research chemical. |
Molecular Weight: | 204.07 |
Molecular Formula: | C6H10BrN3 |
Canonical SMILES: | C1=NN(C=N1)CCCCBr |
InChI: | InChI=1S/C6H10BrN3/c7-3-1-2-4-10-6-8-5-9-10/h5-6H,1-4H2 |
InChI Key: | AIQWNAQHLIXHBU-UHFFFAOYSA-N |
Complexity: | 89.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.00581 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.00581 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 30.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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