Basic information
- Standard SMILES
Clc1ncnc2c1ncn2OCc1ccccc1- InChIKey
NGTVMPSXKYRFLQ-UHFFFAOYSA-N- Molecular formula
- C12H9ClN4O
- Average molar mass
- 260.68 g/mol
Names & identifiers
- Preferred name
- 9-Benzyloxy-6-chloropurine
- IUPAC
- 6-chloro-9-phenylmethoxypurine
Names & synonyms
9-benzyloxy-6-chloropurineSCHEMBL9417239NGTVMPSXKYRFLQ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 14523968
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 275
Related reactions
2 records
Compound notes
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