| CAS Number | 39816-21-2 |
| Catalog Number | AG00CK03(AGN-PC-005BFE) |
| Chemical Name | 4-(Styryl)pyrimidine |
| IUPAC Name | 4-[(E)-2-phenylethenyl]pyrimidine |
| InChI | InChI=1S/C12H10N2/c1-2-4-11(5-3-1)6-7-12-8-9-13-10-14-12/h1-10H/b7-6+ |
| InChI Key | IQRWJYZHFFPIKP-VOTSOKGWSA-N |
| MDL Number | MFCD00188074 |
| Molecular Formula | C12H10N2 |
| Molecular Weight | 182.2212 |
| SMILES | C(=C/C1=CC=NC=N1)C1=CC=CC=C1 |
| Synonyms | 4-(STYRYL)PYRIMIDINE,
4-Styrylpyrimidine,
4-[(E)-2-phenylethenyl]pyrimidine,
39816-21-2,
trans-4-Styrylpyrimidine,
4-[(E)-Styryl]pyrimidine,
4-(2-phenylethenyl)pyrimidine,
SCHEMBL6333009,
4-(trans-beta-Styryl)pyrimidine,
IQRWJYZHFFPIKP-VOTSOKGWSA-N,
2492AE,
BBL103192,
MFCD00188074,
STL557002,
ZINC25494410,
AKOS005255480,
TR-055148,
X-4125,
C12H10N2,
CID11252360,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 182.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.226g/mol |
| Monoisotopic Mass | 182.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number