1-(2-Bromo-4-chlorophenyl)-4-(trifluoromethyl)-1H-1,2,3-triazole - CAS 1445866-55-6
Catalog: |
BB053956 |
Product Name: |
1-(2-Bromo-4-chlorophenyl)-4-(trifluoromethyl)-1H-1,2,3-triazole |
CAS: |
1445866-55-6 |
Synonyms: |
1-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)-1H-1,2,3-triazole |
IUPAC Name: | 1-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)triazole |
Molecular Weight: | 326.50 |
Molecular Formula: | C9H4BrClF3N3 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)Br)N2C=C(N=N2)C(F)(F)F |
InChI: | InChI=1S/C9H4BrClF3N3/c10-6-3-5(11)1-2-7(6)17-4-8(15-16-17)9(12,13)14/h1-4H |
InChI Key: | UPYMLXKJNVYVFS-UHFFFAOYSA-N |
Purity: | ≥95% |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 324.92292 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 324.92292 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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