| CAS Number | 1039364-87-8 |
| Catalog Number | AG0091NX |
| Chemical Name | 3-Bromo-6-phenylpyrazolo[1,5-a]pyrimidine |
| IUPAC Name | 3-bromo-6-phenylpyrazolo[1,5-a]pyrimidine |
| InChI | InChI=1S/C12H8BrN3/c13-11-7-15-16-8-10(6-14-12(11)16)9-4-2-1-3-5-9/h1-8H |
| InChI Key | MENYADATKVZLPD-UHFFFAOYSA-N |
| MDL Number | MFCD13192349 |
| Molecular Formula | C12H8BrN3 |
| Molecular Weight | 274.1160 |
| SMILES | C1=CC=C(C=C1)C2=CN3C(=C(C=N3)Br)N=C2 |
| Synonyms | 3-BROMO-6-PHENYLPYRAZOLO[1,5-A]PYRIMIDINE,
1039364-87-8,
DTXSID90857308,
MFCD13192349,
ZINC95803675,
AS-41774,
X-2329,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.121g/mol |
| Monoisotopic Mass | 272.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number