| CAS Number | 919735-36-7 |
| Catalog Number | AG00IGYW(AGN-PC-0WCYOU) |
| Chemical Name | 4-chloro-1-(3,4-difluorophenyl)-1H-pyrazolo[3,4-d]pyrimidine |
| IUPAC Name | 4-chloro-1-(3,4-difluorophenyl)pyrazolo[3,4-d]pyrimidine |
| InChI | InChI=1S/C11H5ClF2N4/c12-10-7-4-17-18(11(7)16-5-15-10)6-1-2-8(13)9(14)3-6/h1-5H |
| InChI Key | OWGIFMIIHCCNSE-UHFFFAOYSA-N |
| MDL Number | MFCD08746564 |
| Molecular Formula | C11H5ClF2N4 |
| Molecular Weight | 266.6340 |
| SMILES | FC1=C(F)C=C(N2C3=C(C(=NC=N3)Cl)C=N2)C=C1 |
| Synonyms | 4-chloro-1-(3,4-difluorophenyl)-1H-pyrazolo[3,4-d]pyrimidine,
919735-36-7,
ZINC9304191,
MFCD08746564,
STL238197,
AKOS005176270,
MCULE-4823251724,
AS-38368,
AX8266944,
ST51064000,
X-2713,
1-(3,4-difluorophenyl)-4-chloropyrazolo[5,4-d]pyrimidine,
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| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.636g/mol |
| Monoisotopic Mass | 266.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number