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89429-62-9 | 1H-1,2,4-Triazole, 1-[[2-(4-chlorophenyl)oxiranyl]methyl]-
CAS No: 89429-62-9 Catalog No: AG0043ON MDL No:
Product Description
Catalog Number:
AG0043ON
Chemical Name:
1H-1,2,4-Triazole, 1-[[2-(4-chlorophenyl)oxiranyl]methyl]-
CAS Number:
89429-62-9
Molecular Formula:
C11H10ClN3O
Molecular Weight:
235.6696
IUPAC Name:
1-[[2-(4-chlorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
InChI:
InChI=1S/C11H10ClN3O/c12-10-3-1-9(2-4-10)11(6-16-11)5-15-8-13-7-14-15/h1-4,7-8H,5-6H2
InChI Key:
NBOLCYMSWHMIDF-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1(OC1)Cn1ncnc1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.671g/mol
Monoisotopic Mass:
235.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Design, synthesis and evaluation of clinafloxacin triazole hybrids as a new type of antibacterial and antifungal agents. | Bioorganic & medicinal chemistry letters 20120901 |
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