1-[4-(Bromomethyl)phenyl]-1,2,4-triazole - CAS 58419-69-5
Catalog: |
BB030033 |
Product Name: |
1-[4-(Bromomethyl)phenyl]-1,2,4-triazole |
CAS: |
58419-69-5 |
Synonyms: |
1-[4-(bromomethyl)phenyl]-1,2,4-triazole; 1-[4-(bromomethyl)phenyl]-1,2,4-triazole |
IUPAC Name: | 1-[4-(bromomethyl)phenyl]-1,2,4-triazole |
Description: | 1-[4-(Bromomethyl)phenyl]-1,2,4-triazole (CAS# 58419-69-5 ) is a useful research chemical. |
Molecular Weight: | 238.08 |
Molecular Formula: | C9H8BrN3 |
Canonical SMILES: | C1=CC(=CC=C1CBr)N2C=NC=N2 |
InChI: | InChI=1S/C9H8BrN3/c10-5-8-1-3-9(4-2-8)13-7-11-6-12-13/h1-4,6-7H,5H2 |
InChI Key: | NOUAEJFAVOHNSY-UHFFFAOYSA-N |
Boiling Point: | 366.2 °C at 760 mmHg |
Density: | 1.55 g/cm3 |
LogP: | 3.12030 |
Publication Number | Title | Priority Date |
US-2020308145-A1 | Benzimidazole derivatives and their uses | 20171019 |
CN-110869373-A | Antibiotic resistance disruptors | 20170530 |
JP-2020528399-A | Antibiotic resistant breaker | 20170530 |
US-2021261570-A1 | Antibiotic resistance breakers | 20170530 |
EP-2731436-A1 | Azaindole compounds and methods for treating hiv | 20110715 |
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: | 2.2 |
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