| CAS Number | 68496-63-9 |
| Catalog Number | AG01AG3P(AGN-PC-0NJ8ON) |
| Chemical Name | 5-Phenyl-1,3,4-oxadiazole-2-carbonitrile |
| IUPAC Name | 5-phenyl-1,3,4-oxadiazole-2-carbonitrile |
| InChI | InChI=1S/C9H5N3O/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-5H |
| InChI Key | KYRNWWWBJSHFJL-UHFFFAOYSA-N |
| MDL Number | MFCD27920328 |
| Molecular Formula | C9H5N3O |
| Molecular Weight | 171.1555 |
| SMILES | N#CC1=NN=C(C2=CC=CC=C2)O1 |
| Synonyms | 5-phenyl-1,3,4-oxadiazole-2-carbonitrile,
68496-63-9,
1,3,4-Oxadiazole-2-carbonitrile, 5-phenyl-,
SCHEMBL4654116,
ZINC75560770,
AKOS022638242,
MCULE-8124624636,
NE36351,
Z1744716714,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.159g/mol |
| Monoisotopic Mass | 171.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number