| CAS Number | 524959-64-6 |
| Catalog Number | AG019KCZ(AGN-PC-00HF8A) |
| Chemical Name | 2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)acetonitrile |
| IUPAC Name | 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetonitrile |
| InChI | InChI=1S/C12H10N2O/c1-9-11(7-8-13)14-12(15-9)10-5-3-2-4-6-10/h2-6H,7H2,1H3 |
| InChI Key | ONGPDHWUKNYNRF-UHFFFAOYSA-N |
| MDL Number | MFCD08691340 |
| Molecular Formula | C12H10N2O |
| Molecular Weight | 198.2206 |
| SMILES | CC1=C(CC#N)N=C(C2=CC=CC=C2)O1 |
| Synonyms | 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetonitrile,
524959-64-6,
(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetonitrile,
EN300-26428,
AC1Q2EYQ,
SCHEMBL2980371,
CTK7C9850,
ONGPDHWUKNYNRF-UHFFFAOYSA-N,
ZINC11585039,
AKOS005216964,
MCULE-8725380540,
NE52734,
4-Oxazoleacetonitrile, 5-methyl-2-phenyl-,
(5-Methyl-2-phenyl-oxazol-4-yl)-acetonitrile,
Z223688284,
CID11849170,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.225g/mol |
| Monoisotopic Mass | 198.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number