5-Bromo-1-cyclopentyl-1H-1,2,4-triazole - CAS 1823431-73-7
Catalog: |
BB052473 |
Product Name: |
5-Bromo-1-cyclopentyl-1H-1,2,4-triazole |
CAS: |
1823431-73-7 |
Synonyms: |
5-Bromo-1-cyclopentyl-1H-1,2,4-triazole |
IUPAC Name: | 5-bromo-1-cyclopentyl-1,2,4-triazole |
Molecular Weight: | 216.08 |
Molecular Formula: | C7H10BrN3 |
Canonical SMILES: | C1CCC(C1)N2C(=NC=N2)Br |
InChI: | InChI=1S/C7H10BrN3/c8-7-9-5-10-11(7)6-3-1-2-4-6/h5-6H,1-4H2 |
InChI Key: | BUBYHDJSWIUQLS-UHFFFAOYSA-N |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.00581 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.00581 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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