| CAS Number | 1120271-16-0 |
| Catalog Number | AG00HCCG(AGN-PC-0WRAFQ) |
| Chemical Name | 5-(2-Chlorophenyl)-3-methyl-1,2,4-oxadiazole |
| IUPAC Name | 5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C9H7ClN2O/c1-6-11-9(13-12-6)7-4-2-3-5-8(7)10/h2-5H,1H3 |
| InChI Key | MCPVXAZQISPZJO-UHFFFAOYSA-N |
| MDL Number | MFCD13961846 |
| Molecular Formula | C9H7ClN2O |
| Molecular Weight | 194.6177 |
| SMILES | Cc1noc(n1)c1ccccc1Cl |
| Synonyms | 5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole,
1120271-16-0,
SCHEMBL10094739,
ZINC22610968,
3-Methyl-5-(2-chlorophenyl)-1,2,4-oxadiazole,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.618g/mol |
| Monoisotopic Mass | 194.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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