| CAS Number | 14246-77-6 |
| Catalog Number | AG01ABUG(AGN-PC-00MLUX) |
| Chemical Name | 5-Amino-3-phenyl-1,2-oxazole-4-carbonitrile |
| IUPAC Name | 5-amino-3-phenyl-1,2-oxazole-4-carbonitrile |
| InChI | InChI=1S/C10H7N3O/c11-6-8-9(13-14-10(8)12)7-4-2-1-3-5-7/h1-5H,12H2 |
| InChI Key | BQNWRJWQLYUVKN-UHFFFAOYSA-N |
| MDL Number | MFCD09703133 |
| Molecular Formula | C10H7N3O |
| Molecular Weight | 185.1821 |
| SMILES | NC1=C(C#N)C(C2=CC=CC=C2)=NO1 |
| Synonyms | 5-Amino-3-phenyl-1,2-oxazole-4-carbonitrile,
14246-77-6,
5-amino-3-phenylisoxazole-4-carbonitrile,
5-AMINO-3-PHENYL-ISOXAZOLE-4-CARBONITRILE,
SCHEMBL2201442,
CTK7C6658,
DTXSID50541150,
BQNWRJWQLYUVKN-UHFFFAOYSA-N,
ZINC11851101,
AKOS006332422,
Z2096087286,
|
| Complexity | 241 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.186g/mol |
| Monoisotopic Mass | 185.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number