| CAS Number | 16672-15-4 |
| Catalog Number | AG01A9A8 |
| Chemical Name | 3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-ol |
| IUPAC Name | 3-(2-chlorophenyl)-4H-1,2,4-oxadiazol-5-one |
| InChI | InChI=1S/C8H5ClN2O2/c9-6-4-2-1-3-5(6)7-10-8(12)13-11-7/h1-4H,(H,10,11,12) |
| InChI Key | KICRLMZFAZGWTM-UHFFFAOYSA-N |
| MDL Number | MFCD16547699 |
| Molecular Formula | C8H5ClN2O2 |
| Molecular Weight | 196.5905 |
| SMILES | OC1ON=C(C2=C(Cl)C=CC=C2)N=1 |
| Synonyms | 3-(2-chlorophenyl)-1,2,4-oxadiazol-5-ol,
16672-15-4,
AC1Q799X,
SCHEMBL9507873,
CHEMBL4068835,
ZINC37926824,
NE21273,
EN300-64566,
Z1245635822,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.59g/mol |
| Monoisotopic Mass | 196.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number