| CAS Number | 1958106-07-4 |
| Catalog Number | AG01DQD4 |
| Chemical Name | 6-Bromo-3-Chloropyrazolo[1,5-a]Pyrimidine |
| IUPAC Name | 6-bromo-3-chloropyrazolo[1,5-a]pyrimidine |
| InChI | InChI=1S/C6H3BrClN3/c7-4-1-9-6-5(8)2-10-11(6)3-4/h1-3H |
| InChI Key | UGDBNHAYHKDWES-UHFFFAOYSA-N |
| MDL Number | MFCD30183599 |
| Molecular Formula | C6H3BrClN3 |
| Molecular Weight | 232.4651 |
| SMILES | ClC1=C2N=CC(Br)=CN2N=C1 |
| Synonyms | 6-Bromo-3-chloropyrazolo[1,5-a]pyrimidine,
1958106-07-4,
MFCD30183599,
AKOS030529264,
ZINC498047852,
AS-49669,
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| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.465g/mol |
| Monoisotopic Mass | 230.92g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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