| CAS Number | 1565728-41-7 |
| Catalog Number | AG01B4X3 |
| Chemical Name | 2-(4-bromo-1H-pyrazol-1-yl)-5-fluoropyrimidine |
| IUPAC Name | 2-(4-bromopyrazol-1-yl)-5-fluoropyrimidine |
| InChI | InChI=1S/C7H4BrFN4/c8-5-1-12-13(4-5)7-10-2-6(9)3-11-7/h1-4H |
| InChI Key | HICGPXPXTSZXNG-UHFFFAOYSA-N |
| MDL Number | MFCD26917905 |
| Molecular Formula | C7H4BrFN4 |
| Molecular Weight | 243.0359 |
| SMILES | FC1=CN=C(N2N=CC(Br)=C2)N=C1 |
| Synonyms | 2-(4-bromo-1H-pyrazol-1-yl)-5-fluoropyrimidine,
1565728-41-7,
SCHEMBL18555040,
AKOS033932318,
ZINC128534060,
Z2509351140,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.039g/mol |
| Monoisotopic Mass | 241.96g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number