| CAS Number | 956127-82-5 |
| Catalog Number | AG01B2NZ |
| Chemical Name | 5-bromo-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine |
| IUPAC Name | 5-bromo-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine |
| InChI | InChI=1S/C11H7BrF3N3/c12-8-5-16-10(17-6-8)18-9-3-1-2-7(4-9)11(13,14)15/h1-6H,(H,16,17,18) |
| InChI Key | KHZQJYJQTMDKCS-UHFFFAOYSA-N |
| MDL Number | MFCD18631307 |
| Molecular Formula | C11H7BrF3N3 |
| Molecular Weight | 318.0926 |
| SMILES | FC(C1=CC(NC2=NC=C(Br)C=N2)=CC=C1)(F)F |
| Synonyms | 5-bromo-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine,
956127-82-5,
SCHEMBL3601052,
KHZQJYJQTMDKCS-UHFFFAOYSA-N,
AKOS013188315,
ZINC111751603,
2-(3-Trifluoromethylphenylamino)-5-bromopyrimidine,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.097g/mol |
| Monoisotopic Mass | 316.978g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number