| CAS Number | 728894-87-9 |
| Catalog Number | AG00ICBV(AGN-PC-0HPZSJ) |
| Chemical Name | 4-(3-Methyl-1,2,4-oxadiazol-5-yl)benzonitrile |
| IUPAC Name | 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzonitrile |
| InChI | InChI=1S/C10H7N3O/c1-7-12-10(14-13-7)9-4-2-8(6-11)3-5-9/h2-5H,1H3 |
| InChI Key | KEANHZPGKNKJFT-UHFFFAOYSA-N |
| MDL Number | MFCD28369607 |
| Molecular Formula | C10H7N3O |
| Molecular Weight | 185.1821 |
| SMILES | N#Cc1ccc(cc1)c1onc(n1)C |
| Synonyms | 4-(3-Methyl-1,2,4-oxadiazol-5-yl)benzonitrile,
728894-87-9,
SCHEMBL10094740,
ZINC146169391,
4-(3-Methyl-1,2,4-oxadiazole-5-yl)benzonitrile,
Benzonitrile, 4-(3-methyl-1,2,4-oxadiazol-5-yl)-,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.186g/mol |
| Monoisotopic Mass | 185.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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