Ethyl 6-chloro-9h-purine-9-carboxylate
Basic information
- CAS
18753-73-6- Standard SMILES
CCOC(=O)n1cnc2c(Cl)ncnc21- InChIKey
NOUZMDYEPFUKKW-UHFFFAOYSA-N- Molecular formula
- C8H7ClN4O2
- Average molar mass
- 226.62 g/mol
- Monoisotopic mass
- 226.0257532
Names & identifiers
- Preferred name
- Ethyl 6-chloro-9h-purine-9-carboxylate
- IUPAC
- ethyl 6-chloropurine-9-carboxylate
Names & synonyms
ethyl 6-chloro-9h-purine-9-carboxylate18753-73-6ethyl 6-chloropurine-9-carboxylateNSC91809NCIOpen2_005600DTXSID60293734NSC-91809DS-011064
Database identifiers
- CAS
18753-73-6- PubChem CID
- 260488
- DTXSID
DTXSID60293734
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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