| CAS Number | 33149-25-6 |
| Catalog Number | AG01AG5X(AGN-PC-0N959J) |
| Chemical Name | 7-Chloro-5-phenylpyrazolo[1,5-a]pyrimidine |
| IUPAC Name | 7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine |
| InChI | InChI=1S/C12H8ClN3/c13-11-8-10(9-4-2-1-3-5-9)15-12-6-7-14-16(11)12/h1-8H |
| InChI Key | UWQMTCYMAVNCQY-UHFFFAOYSA-N |
| MDL Number | MFCD09756303 |
| Molecular Formula | C12H8ClN3 |
| Molecular Weight | 229.6650 |
| SMILES | ClC1=CC(=NC=2N1N=CC2)C2=CC=CC=C2 |
| Synonyms | 7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine,
33149-25-6,
Pyrazolo[1,5-a]pyrimidine, 7-chloro-5-phenyl-,
SCHEMBL5460421,
CTK1B1918,
DTXSID20443773,
ZINC39187012,
AKOS013133613,
CID10704609,
2-chloro-4-phenyl-1,5,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.667g/mol |
| Monoisotopic Mass | 229.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number