Basic information
- CAS
6973-54-2- Standard SMILES
CC(=O)OCCn1cnc2c(Cl)ncnc21- InChIKey
WABGFEVHJMMOIL-UHFFFAOYSA-N- Molecular formula
- C9H9ClN4O2
- Average molar mass
- 240.64 g/mol
- Monoisotopic mass
- 240.0414032
Names & identifiers
- Preferred name
- 2-(6-Chloropurin-9-yl)ethyl acetate
- IUPAC
- 2-(6-chloropurin-9-yl)ethyl acetate
Names & synonyms
6973-54-2NSC 402212-(6-chloropurin-9-yl)ethyl acetate2-(6-chloro-9h-purin-9-yl)ethyl acetateNSC40221DTXSID00285012NSC-402219H-Purine-9-ethanol, 6-chloro-, acetate
Database identifiers
- CAS
6973-54-2- PubChem CID
- 237019
- DTXSID
DTXSID00285012
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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