6-Chloro-9-octylpurine
Basic information
- CAS
7247-96-3- Standard SMILES
CCCCCCCCn1cnc2c(Cl)ncnc21- InChIKey
KIJQWBIFBRPOCT-UHFFFAOYSA-N- Molecular formula
- C13H19ClN4
- Average molar mass
- 266.77 g/mol
- Monoisotopic mass
- 266.1298243
Names & identifiers
- Preferred name
- 6-Chloro-9-octylpurine
- IUPAC
- 6-chloro-9-octylpurine
Names & synonyms
6-chloro-9-octylpurine7247-96-3DTXSID60289399RefChem:308064DTXCID002405456-chloro-9-octyl-9h-purineNSC60639NSC-60639
Database identifiers
- CAS
7247-96-3- PubChem CID
- 246971
- DTXSID
DTXSID60289399
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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