| CAS Number | 899518-62-8 |
| Catalog Number | AG01AIJB(AGN-PC-0WO69S) |
| Chemical Name | 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde |
| IUPAC Name | 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde |
| InChI | InChI=1S/C8H6BrN3O/c1-5-7(4-13)8-10-2-6(9)3-12(8)11-5/h2-4H,1H3 |
| InChI Key | UBHLLXKKUAITTO-UHFFFAOYSA-N |
| MDL Number | MFCD08106837 |
| Molecular Formula | C8H6BrN3O |
| Molecular Weight | 240.0567 |
| SMILES | CC1C(C=O)=C2N(C=C(C=N2)Br)N=1 |
| Synonyms | 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde,
EN300-77995,
899518-62-8,
SCHEMBL5055395,
UBHLLXKKUAITTO-UHFFFAOYSA-N,
STK341778,
ZINC12847876,
AKOS000204904,
FCH2253724,
MCULE-4527815496,
ST50654813,
72060-EP2308867A2,
72060-EP2308870A2,
6-bromo-2-methyl-8-hydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.06g/mol |
| Monoisotopic Mass | 238.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number