6-(chloromethyl)-7H-purine
Basic information
- CAS
14225-97-9- Standard SMILES
ClCc1ncnc2nc[nH]c12- InChIKey
WWNOXWLLJWMUCJ-UHFFFAOYSA-N- Molecular formula
- C6H5ClN4
- Average molar mass
- 168.58 g/mol
- Monoisotopic mass
- 168.0202739
Names & identifiers
- Preferred name
- 6-(chloromethyl)-7H-purine
- IUPAC
- 6-(chloromethyl)-7H-purine
Names & synonyms
14225-97-96-(chloromethyl)-7H-purineDTXSID50422218NSC5267859H-PURINE,6-(CHLOROMETHYL)-AKOS006388199NSC-526785DS-009434
Database identifiers
- CAS
14225-97-9- PubChem CID
- 6243249
- DTXSID
DTXSID50422218- Nikkaji
- J641.943G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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