| CAS Number | 1021436-49-6 |
| Catalog Number | AG00S3WX(AGN-PC-3H45A2) |
| Chemical Name | 5-(Chloromethyl)-3-(1-phenylethyl)-1,2,4-oxadiazole |
| IUPAC Name | 5-(chloromethyl)-3-(1-phenylethyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C11H11ClN2O/c1-8(9-5-3-2-4-6-9)11-13-10(7-12)15-14-11/h2-6,8H,7H2,1H3 |
| InChI Key | GDLCYOGFXGYRBU-UHFFFAOYSA-N |
| MDL Number | MFCD18425662 |
| Molecular Formula | C11H11ClN2O |
| Molecular Weight | 222.6708 |
| SMILES | O1C(CCl)=NC(C(C2=CC=CC=C2)C)=N1 |
| Synonyms | 1021436-49-6,
5-(chloromethyl)-3-(1-phenylethyl)-1,2,4-oxadiazole,
SCHEMBL8221565,
5-(Chloromethyl)-3-[(1-phenyl)ethyl]-1,2,4-oxadiazole,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.672g/mol |
| Monoisotopic Mass | 222.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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