| CAS Number | 650628-17-4 |
| Catalog Number | AG00IBFZ(AGN-PC-06OFCI) |
| Chemical Name | 1-(3-Bromophenyl)-4-chloro-1h-pyrazolo[3,4-d]pyrimidine |
| IUPAC Name | 1-(3-bromophenyl)-4-chloropyrazolo[3,4-d]pyrimidine |
| InChI | InChI=1S/C11H6BrClN4/c12-7-2-1-3-8(4-7)17-11-9(5-16-17)10(13)14-6-15-11/h1-6H |
| InChI Key | SEZPQHXLHFWTMN-UHFFFAOYSA-N |
| MDL Number | MFCD12530602 |
| Molecular Formula | C11H6BrClN4 |
| Molecular Weight | 309.5491 |
| SMILES | C1=CC(=CC(=C1)Br)N2C3=C(C=N2)C(=NC=N3)Cl |
| Synonyms | 1-(3-BROMOPHENYL)-4-CHLORO-1H-PYRAZOLO[3,4-D]PYRIMIDINE,
650628-17-4,
1H-Pyrazolo[3,4-d]pyrimidine, 1-(3-bromophenyl)-4-chloro-,
SCHEMBL8344595,
CTK2A0340,
DTXSID10656153,
MFCD12530602,
ZINC35778775,
AKOS009564589,
AS-38369,
FT-0726241,
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| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.551g/mol |
| Monoisotopic Mass | 307.946g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number