4-(6-Chloro-9h-purin-9-yl)phenol
Basic information
- CAS
21268-12-2- Standard SMILES
Oc1ccc(-n2cnc3c(Cl)ncnc32)cc1- InChIKey
DRFFHRSYCFYMPY-UHFFFAOYSA-N- Molecular formula
- C11H7ClN4O
- Average molar mass
- 246.65 g/mol
- Monoisotopic mass
- 246.0308386
Names & identifiers
- Preferred name
- 4-(6-Chloro-9h-purin-9-yl)phenol
- IUPAC
- 4-(6-chloropurin-9-yl)phenol
Names & synonyms
4-(6-chloro-9h-purin-9-yl)phenol21268-12-24-(6-chloropurin-9-yl)phenolNSC114108DTXSID60943727NSC-114108DS-014568
Database identifiers
- CAS
21268-12-2- PubChem CID
- 270935
- DTXSID
DTXSID60943727
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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