1-(4-Bromobenzyl)-1H-1,2,4-triazole - CAS 143030-55-1
Catalog: |
BB009490 |
Product Name: |
1-(4-Bromobenzyl)-1H-1,2,4-triazole |
CAS: |
143030-55-1 |
Synonyms: |
1-[(4-bromophenyl)methyl]-1,2,4-triazole; 1-[(4-bromophenyl)methyl]-1,2,4-triazole |
IUPAC Name: | 1-[(4-bromophenyl)methyl]-1,2,4-triazole |
Description: | 1-(4-Bromobenzyl)-1H-1,2,4-triazole (CAS# 143030-55-1 ) is a useful research chemical. |
Molecular Weight: | 238.08 |
Molecular Formula: | C9H8BrN3 |
Canonical SMILES: | C1=CC(=CC=C1CN2C=NC=N2)Br |
InChI: | InChI=1S/C9H8BrN3/c10-9-3-1-8(2-4-9)5-13-7-11-6-12-13/h1-4,6-7H,5H2 |
InChI Key: | GIMRDIDKYYDTBN-UHFFFAOYSA-N |
LogP: | 2.08890 |
Publication Number | Title | Priority Date |
EP-3383858-A1 | Inhibitors of metallo-beta-lactamases | 20151130 |
JP-2018535273-A | Metallo-beta-lactamase inhibitors | 20151130 |
WO-2017093727-A1 | Inhibitors of metallo-beta-lactamases | 20151130 |
US-2020375946-A1 | Inhibitors of metallo-beta-lactamases | 20151130 |
AU-2016363937-B2 | Inhibitors of metallo-beta-lactamases | 20151130 |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.99016 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.99016 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 30.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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