| CAS Number | 1086382-09-3 |
| Catalog Number | AG018RS1(AGN-PC-0WO0FH) |
| Chemical Name | 4-Bromo-6-(propan-2-yl)pyrimidine |
| IUPAC Name | 4-bromo-6-propan-2-ylpyrimidine |
| InChI | InChI=1S/C7H9BrN2/c1-5(2)6-3-7(8)10-4-9-6/h3-5H,1-2H3 |
| InChI Key | KBZOFQYJNZBLEL-UHFFFAOYSA-N |
| MDL Number | MFCD11223261 |
| Molecular Formula | C7H9BrN2 |
| Molecular Weight | 201.0638 |
| SMILES | CC(C1=NC=NC(Br)=C1)C |
| Synonyms | 4-bromo-6-(propan-2-yl)pyrimidine,
1086382-09-3,
SCHEMBL16031339,
ZINC40766576,
AKOS010490486,
MB09511,
EN300-78441,
F8880-0253,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.067g/mol |
| Monoisotopic Mass | 199.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number