| CAS Number | 885220-89-3 |
| Catalog Number | AG00IF4I(AGN-PC-0D41PS) |
| Chemical Name | 3-Bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine |
| IUPAC Name | 3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine |
| InChI | InChI=1S/C8H7BrClN3/c1-4-3-6(10)13-8(11-4)7(9)5(2)12-13/h3H,1-2H3 |
| InChI Key | XMPNNZUQHXEYBR-UHFFFAOYSA-N |
| MDL Number | MFCD15144535 |
| Molecular Formula | C8H7BrClN3 |
| Molecular Weight | 260.5183 |
| SMILES | CC1C(Br)=C2N(C(=CC(=N2)C)Cl)N=1 |
| Synonyms | 3-Bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine,
885220-89-3,
SCHEMBL12888873,
ZINC71475480,
AKOS022528208,
CS-0080926,
Pyrazolo[1,5-a]pyrimidine, 3-bromo-7-chloro-2,5-dimethyl-,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.519g/mol |
| Monoisotopic Mass | 258.951g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number