| CAS Number | 89804-65-9 |
| Catalog Number | AG003Z0F(AGN-PC-00L8I8) |
| Chemical Name | 5-(4-Chlorophenyl)-3-methyl-1,2,4-oxadiazole |
| IUPAC Name | 5-(4-chlorophenyl)-3-methyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C9H7ClN2O/c1-6-11-9(13-12-6)7-2-4-8(10)5-3-7/h2-5H,1H3 |
| InChI Key | CTGIPJXADDXHCT-UHFFFAOYSA-N |
| MDL Number | MFCD28166408 |
| Molecular Formula | C9H7ClN2O |
| Molecular Weight | 194.6177 |
| SMILES | Clc1ccc(cc1)c1onc(n1)C |
| Synonyms | 5-(4-Chlorophenyl)-3-methyl-1,2,4-oxadiazole,
89804-65-9,
1,2,4-Oxadiazole, 5-(4-chlorophenyl)-3-methyl-,
ACMC-20lqjc,
SCHEMBL12297019,
CTK2J0288,
DTXSID50523936,
ZINC39411143,
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| Complexity | 171 |
| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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