| CAS Number | 198404-35-2 |
| Catalog Number | AG002BHL(AGN-PC-03YK5O) |
| Chemical Name | Pyrimidine, 5-(bromomethyl)-2-(trifluoromethyl)- |
| IUPAC Name | 5-(bromomethyl)-2-(trifluoromethyl)pyrimidine |
| InChI | InChI=1S/C6H4BrF3N2/c7-1-4-2-11-5(12-3-4)6(8,9)10/h2-3H,1H2 |
| InChI Key | LAZGEURDWNHKNA-UHFFFAOYSA-N |
| MDL Number | MFCD11042581 |
| Molecular Formula | C6H4BrF3N2 |
| Molecular Weight | 241.0086 |
| SMILES | FC(C1=NC=C(CBr)C=N1)(F)F |
| Synonyms | 5-(Bromomethyl)-2-(trifluoromethyl)pyrimidine,
198404-35-2,
5-Bromomethyl-2-(trifluoromethyl)pyrimidine,
Pyrimidine, 5-(bromomethyl)-2-(trifluoromethyl)-,
SCHEMBL1787959,
MFCD11042581,
ZINC39121213,
AKOS025396804,
AK175399,
AS-47700,
CS-0044965,
Pyrimidine, 5-(bromomethyl)-2-(trifluoromethyl)- (9CI),
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.011g/mol |
| Monoisotopic Mass | 239.951g/mol |
| Rotatable Bond Count | 1 |
| 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
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Certificate of Analysis
Lot Number