2-(2-Bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazole - CAS 733044-96-7
Catalog: |
BB062096 |
Product Name: |
2-(2-Bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazole |
CAS: |
733044-96-7 |
Synonyms: |
2-(2-bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazole; 2-(2-Bromo-phenyl)-5-chloromethyl-[1,3,4]oxadiazole |
IUPAC Name: | 2-(2-bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazole |
Description: | 2-(2-Bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazole |
Molecular Weight: | 273.51 |
Molecular Formula: | C9H6BrClN2O |
Canonical SMILES: | C1=CC=C(C(=C1)C2=NN=C(O2)CCl)Br |
InChI: | InChI=1S/C9H6BrClN2O/c10-7-4-2-1-3-6(7)9-13-12-8(5-11)14-9/h1-4H,5H2 |
InChI Key: | KIMSKBWHIMTWFJ-UHFFFAOYSA-N |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.9352 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.9352 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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