| CAS Number | 41421-00-5 |
| Catalog Number | AG00I83J(AGN-PC-0WOIBN) |
| Chemical Name | 2-(3-Methylphenyl)-1,3,4-oxadiazole |
| IUPAC Name | 2-(3-methylphenyl)-1,3,4-oxadiazole |
| InChI | InChI=1S/C9H8N2O/c1-7-3-2-4-8(5-7)9-11-10-6-12-9/h2-6H,1H3 |
| InChI Key | IUKXRBAYNRAFFQ-UHFFFAOYSA-N |
| MDL Number | MFCD27936856 |
| Molecular Formula | C9H8N2O |
| Molecular Weight | 160.1726 |
| SMILES | Cc1cccc(c1)c1nnco1 |
| Synonyms | 2-(3-methylphenyl)-1,3,4-oxadiazole,
41421-00-5,
2-m-tolyl-1,3,4-oxadiazole,
SCHEMBL3794714,
ODZ100123,
ZINC97756685,
AKOS026673690,
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| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.176g/mol |
| Monoisotopic Mass | 160.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number