Basic information
- CAS
91395-18-5- Standard SMILES
Clc1ncnc2c1nc(Cl)n2Cc1ccccc1- InChIKey
UJISOIMQMJRAFD-UHFFFAOYSA-N- Molecular formula
- C12H8Cl2N4
- Average molar mass
- 279.12 g/mol
- Monoisotopic mass
- 278.0126017
Names & identifiers
- Preferred name
- 9H-Purine, 9-benzyl-6,8-dichloro-
- IUPAC
- 9-benzyl-6,8-dichloropurine
Names & synonyms
9-Benzyl-6,8-dichloro-9H-purine91395-18-59H-Purine, 9-benzyl-6,8-dichloro-NSC57006DTXSID30288632NSC-57006
Database identifiers
- CAS
91395-18-5- PubChem CID
- 245264
- DTXSID
DTXSID30288632- Nikkaji
- J1.098.771G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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