| CAS Number | 1909316-79-5 |
| Catalog Number | AG01C1BR |
| Chemical Name | 2-chloro-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethan-1-one |
| IUPAC Name | 2-chloro-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone |
| InChI | InChI=1S/C5H5ClN2O2/c1-3-5(4(9)2-6)8-10-7-3/h2H2,1H3 |
| InChI Key | FOUIVZZRPQOZBN-UHFFFAOYSA-N |
| MDL Number | MFCD29054871 |
| Molecular Formula | C5H5ClN2O2 |
| Molecular Weight | 160.5584 |
| SMILES | CC1C(C(CCl)=O)=NON=1 |
| Synonyms | 2-chloro-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethan-1-one,
1909316-79-5,
AKOS033816408,
ZINC299805244,
Z2235811879,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.557g/mol |
| Monoisotopic Mass | 160.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number