| CAS Number | 1263060-72-5 |
| Catalog Number | AG01AIJC(AGN-PC-0WO9T9) |
| Chemical Name | 6-bromopyrazolo[1,5-a]pyrimidine-3-carbaldehyde |
| IUPAC Name | 6-bromopyrazolo[1,5-a]pyrimidine-3-carbaldehyde |
| InChI | InChI=1S/C7H4BrN3O/c8-6-2-9-7-5(4-12)1-10-11(7)3-6/h1-4H |
| InChI Key | QNBGYVMMIRJOEU-UHFFFAOYSA-N |
| MDL Number | MFCD18839109 |
| Molecular Formula | C7H4BrN3O |
| Molecular Weight | 226.0302 |
| SMILES | BrC1=CN2C(=C(C=N2)C=O)N=C1 |
| Synonyms | 6-bromopyrazolo[1,5-a]pyrimidine-3-carbaldehyde,
1263060-72-5,
SCHEMBL18397071,
ZINC68592194,
AKOS023166322,
CS-0080944,
EN300-77996,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.033g/mol |
| Monoisotopic Mass | 224.954g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number