| CAS Number | 56239-14-6 |
| Catalog Number | AG01BTRW |
| Chemical Name | 5-(4-Bromophenyl)Pyrimidin-4-Amine |
| IUPAC Name | 5-(4-bromophenyl)pyrimidin-4-amine |
| InChI | InChI=1S/C10H8BrN3/c11-8-3-1-7(2-4-8)9-5-13-6-14-10(9)12/h1-6H,(H2,12,13,14) |
| InChI Key | FIQNUYRCFKNZGR-UHFFFAOYSA-N |
| MDL Number | MFCD07382079 |
| Molecular Formula | C10H8BrN3 |
| Molecular Weight | 250.0946 |
| SMILES | NC1=C(C2=CC=C(Br)C=C2)C=NC=N1 |
| Synonyms | 5-(4-bromophenyl)pyrimidin-4-amine,
56239-14-6,
ZINC26465726,
AKOS012198183,
Z2798559910,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.099g/mol |
| Monoisotopic Mass | 248.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number