3-(4-Bromophenyl)-1,2,5-oxadiazole - CAS 71420-03-6
Catalog: |
BB034373 |
Product Name: |
3-(4-Bromophenyl)-1,2,5-oxadiazole |
CAS: |
71420-03-6 |
Synonyms: |
3-(4-bromophenyl)-1,2,5-oxadiazole; 3-(4-bromophenyl)-1,2,5-oxadiazole |
IUPAC Name: | 3-(4-bromophenyl)-1,2,5-oxadiazole |
Description: | 3-(4-Bromophenyl)-1,2,5-oxadiazole (CAS# 71420-03-6 ) is a useful research chemical. |
Molecular Weight: | 225.04 |
Molecular Formula: | C8H5BrN2O |
Canonical SMILES: | C1=CC(=CC=C1C2=NON=C2)Br |
InChI: | InChI=1S/C8H5BrN2O/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H |
InChI Key: | AVXUXLODBRRZJF-UHFFFAOYSA-N |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.95853 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.95853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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