| CAS Number | 1823964-72-2 |
| Catalog Number | AG01B2A5 |
| Chemical Name | 3-Bromoimidazo[1,5-A]Pyrimidine |
| IUPAC Name | 3-bromoimidazo[1,5-a]pyrimidine |
| InChI | InChI=1S/C6H4BrN3/c7-5-1-9-6-2-8-4-10(6)3-5/h1-4H |
| InChI Key | QNKITFQPFNXSLV-UHFFFAOYSA-N |
| MDL Number | MFCD26383650 |
| Molecular Formula | C6H4BrN3 |
| Molecular Weight | 198.0201 |
| SMILES | BrC1=CN2C(N=C1)=CN=C2 |
| Synonyms | 3-bromoimidazo[1,5-a]pyrimidine,
1823964-72-2,
AKOS033931986,
ZINC237971905,
Z2507870683,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.023g/mol |
| Monoisotopic Mass | 196.959g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number