Basic information
- Standard SMILES
Clc1cccc(Cl)c1Cc1nc2c(Cl)ncnc2[nH]1- InChIKey
PDKYYAYFASOGBL-UHFFFAOYSA-N- Molecular formula
- C12H7Cl3N4
- Average molar mass
- 313.6 g/mol
- Monoisotopic mass
- 311.973629
Names & identifiers
- Preferred name
- 6-Chloro-8-(2,6-dichloro-benzyl)-9H-purine
- IUPAC
- 6-chloro-8-[(2,6-dichlorophenyl)methyl]-7H-purine
Names & synonyms
SCHEMBL4203963PDKYYAYFASOGBL-UHFFFAOYSA-N6-Chloro-8-(2,6-dichloro-benzyl)-9H-purine
Database identifiers
- PubChem CID
- 57742457
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
Related reactions
3 records
Compound notes
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