4,6-Dichloro-1-(4-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidine
Basic information
- CAS
5334-34-9- Standard SMILES
Clc1ccc(-n2ncc3c(Cl)nc(Cl)nc32)cc1- InChIKey
AGNZJGPYNFNEJW-UHFFFAOYSA-N- Molecular formula
- C11H5Cl3N4
- Average molar mass
- 299.5 g/mol
- Monoisotopic mass
- 297.957979
Names & identifiers
- Preferred name
- 4,6-Dichloro-1-(4-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidine
- IUPAC
- 4,6-dichloro-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidine
Names & synonyms
5334-34-94,6-dichloro-1-(4-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidine4,6-dichloro-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidineNSC1405SCHEMBL2809356DTXSID50277265NSC-1405AKOS005720200
Database identifiers
- CAS
5334-34-9- PubChem CID
- 219736
- DTXSID
DTXSID50277265- Nikkaji
- J341.004H
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
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Compound notes
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