6-Chloro-9-[3-(6-chloropurin-9-yl)propyl]purine
Basic information
- CAS
91719-24-3- Standard SMILES
Clc1ncnc2c1ncn2CCCn1cnc2c(Cl)ncnc21- InChIKey
IJQPUAHUVABTDE-UHFFFAOYSA-N- Molecular formula
- C13H10Cl2N8
- Average molar mass
- 349.2 g/mol
- Monoisotopic mass
- 348.0405477
Names & identifiers
- Preferred name
- 6-Chloro-9-[3-(6-chloropurin-9-yl)propyl]purine
- IUPAC
- 6-chloro-9-[3-(6-chloropurin-9-yl)propyl]purine
Names & synonyms
NSC24072591719-24-3DTXSID50311254NSC-2407259,9'-(Propane-1,3-diyl)bis(6-chloro-9H-purine)
Database identifiers
- CAS
91719-24-3- PubChem CID
- 315480
- DTXSID
DTXSID50311254
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 379
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Compound notes
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