| CAS Number | 1251075-55-4 |
| Catalog Number | AG01B6RK |
| Chemical Name | 4-chloro-2-(2-phenylethyl)pyrimidine |
| IUPAC Name | 4-chloro-2-(2-phenylethyl)pyrimidine |
| InChI | InChI=1S/C12H11ClN2/c13-11-8-9-14-12(15-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2 |
| InChI Key | QHMYIIBCWBRSEC-UHFFFAOYSA-N |
| MDL Number | MFCD14654401 |
| Molecular Formula | C12H11ClN2 |
| Molecular Weight | 218.6821 |
| SMILES | ClC1=NC(CCC2=CC=CC=C2)=NC=C1 |
| Synonyms | 4-chloro-2-(2-phenylethyl)pyrimidine,
1251075-55-4,
ZINC42406883,
AKOS010644418,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.684g/mol |
| Monoisotopic Mass | 218.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number