| CAS Number | 1086381-85-2 |
| Catalog Number | AG01DSTX(AGN-PC-07H9HV) |
| Chemical Name | 4-bromo-2-cyclobutylpyrimidine |
| IUPAC Name | 4-bromo-2-cyclobutylpyrimidine |
| InChI | InChI=1S/C8H9BrN2/c9-7-4-5-10-8(11-7)6-2-1-3-6/h4-6H,1-3H2 |
| InChI Key | BSTCMYXYDPBVOO-UHFFFAOYSA-N |
| MDL Number | MFCD11223250 |
| Molecular Formula | C8H9BrN2 |
| Molecular Weight | 213.0745 |
| SMILES | BrC1=NC(C2CCC2)=NC=C1 |
| Synonyms | 4-bromo-2-cyclobutylpyrimidine,
1086381-85-2,
AKOS015942600,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.078g/mol |
| Monoisotopic Mass | 211.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number