6-chloro-9-(p-tolyl)-9H-purine
Basic information
- CAS
123201-00-3- Standard SMILES
Cc1ccc(-n2cnc3c(Cl)ncnc32)cc1- InChIKey
LHJDQEDPBWFXPC-UHFFFAOYSA-N- Molecular formula
- C12H9ClN4
- Average molar mass
- 244.68 g/mol
- Monoisotopic mass
- 244.051574
Names & identifiers
- Preferred name
- 6-chloro-9-(p-tolyl)-9H-purine
- IUPAC
- 6-chloro-9-(4-methylphenyl)purine
Names & synonyms
6-chloro-9-(p-tolyl)-9H-purine123201-00-36-Chloro-9-(4-methylphenyl)-9H-purine9H-Purine, 6-chloro-9-(4-methylphenyl)-NSC82637SCHEMBL21638052DTXSID40292442NSC-82637
Database identifiers
- CAS
123201-00-3- PubChem CID
- 256199
- DTXSID
DTXSID40292442- Nikkaji
- J1.890.125K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
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Compound notes
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