| CAS Number | 1339210-38-6 |
| Catalog Number | AG01A1WV(AGN-PC-0WO1K8) |
| Chemical Name | 2-(4-bromophenyl)-4-(chloromethyl)pyrimidine |
| IUPAC Name | 2-(4-bromophenyl)-4-(chloromethyl)pyrimidine |
| InChI | InChI=1S/C11H8BrClN2/c12-9-3-1-8(2-4-9)11-14-6-5-10(7-13)15-11/h1-6H,7H2 |
| InChI Key | NYBBQCXRGIHZPQ-UHFFFAOYSA-N |
| MDL Number | MFCD16866718 |
| Molecular Formula | C11H8BrClN2 |
| Molecular Weight | 283.5516 |
| SMILES | ClCC1=NC(C2=CC=C(Br)C=C2)=NC=C1 |
| Synonyms | 2-(4-bromophenyl)-4-(chloromethyl)pyrimidine,
1339210-38-6,
ZINC54793350,
AKOS012040691,
NE32077,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.553g/mol |
| Monoisotopic Mass | 281.956g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number