6-Chloro-9-(3-nitrobenzyl)-9h-purine
Basic information
- CAS
6952-15-4- Standard SMILES
O=[N+]([O-])c1cccc(Cn2cnc3c(Cl)ncnc32)c1- InChIKey
WQNDFAVYVHEMNZ-UHFFFAOYSA-N- Molecular formula
- C12H8ClN5O2
- Average molar mass
- 289.68 g/mol
- Monoisotopic mass
- 289.0366522
Names & identifiers
- Preferred name
- 6-Chloro-9-(3-nitrobenzyl)-9h-purine
- IUPAC
- 6-chloro-9-[(3-nitrophenyl)methyl]purine
Names & synonyms
6-chloro-9-(3-nitrobenzyl)-9h-purine6952-15-46-chloro-9-[(3-nitrophenyl)methyl]-9H-purineNSC63025NCIOpen2_002626DTXSID90289706NSC-63025
Database identifiers
- CAS
6952-15-4- PubChem CID
- 247758
- DTXSID
DTXSID90289706
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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