| CAS Number | 1400191-58-3 |
| Catalog Number | AG01FANV(AGN-PC-3H49G6) |
| Chemical Name | 3-(2-Methylphenyl)-5-phenyl-1,2,4-oxadiazole |
| IUPAC Name | 3-(2-methylphenyl)-5-phenyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C15H12N2O/c1-11-7-5-6-10-13(11)14-16-15(18-17-14)12-8-3-2-4-9-12/h2-10H,1H3 |
| InChI Key | UPWQKWQWFBYGFM-UHFFFAOYSA-N |
| MDL Number | MFCD20265377 |
| Molecular Formula | C15H12N2O |
| Molecular Weight | 236.2686 |
| SMILES | CC1=CC=CC=C1C2=NOC(C3=CC=CC=C3)=N2 |
| Synonyms | 3-(2-Methylphenyl)-5-phenyl-1,2,4-oxadiazole,
5-Phenyl-3-(o-tolyl)-1,2,4-oxadiazole,
1400191-58-3,
MFCD20265377,
ZINC85999902,
3-(2-Methylphenyl)-5-phenyl-1,2,4-oxadiazole, 97%, AldrichCPR,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.274g/mol |
| Monoisotopic Mass | 236.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number