| CAS Number | 916213-45-1 |
| Catalog Number | AG00IGSM |
| Chemical Name | 4-Bromo-5-fluoro-6-methylpyrimidine |
| IUPAC Name | 4-bromo-5-fluoro-6-methylpyrimidine |
| InChI | InChI=1S/C5H4BrFN2/c1-3-4(7)5(6)9-2-8-3/h2H,1H3 |
| InChI Key | CQMYTXOOLVBVLW-UHFFFAOYSA-N |
| MDL Number | MFCD18262196 |
| Molecular Formula | C5H4BrFN2 |
| Molecular Weight | 191.0011 |
| SMILES | CC1=C(F)C(Br)=NC=N1 |
| Synonyms | 4-bromo-5-fluoro-6-methylpyrimidine,
916213-45-1,
SCHEMBL10164764,
AJ-137554,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.003g/mol |
| Monoisotopic Mass | 189.954g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number