6-Chloro-9-(4-nitrophenyl)-9h-purine
Basic information
- CAS
21313-94-0- Standard SMILES
O=[N+]([O-])c1ccc(-n2cnc3c(Cl)ncnc32)cc1- InChIKey
NBXQOLZENUIEBR-UHFFFAOYSA-N- Molecular formula
- C11H6ClN5O2
- Average molar mass
- 275.65 g/mol
- Monoisotopic mass
- 275.0210021
Names & identifiers
- Preferred name
- 6-Chloro-9-(4-nitrophenyl)-9h-purine
- IUPAC
- 6-chloro-9-(4-nitrophenyl)purine
Names & synonyms
6-chloro-9-(4-nitrophenyl)-9h-purine21313-94-0NSC212437SCHEMBL5108393DTXSID00309641NSC-212437C92152
Database identifiers
- CAS
21313-94-0- PubChem CID
- 309972
- DTXSID
DTXSID00309641
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
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Compound notes
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