Basic information
- Standard SMILES
CCOC(=O)Cn1cnc2c(Cl)nc(Cl)nc21- InChIKey
CTFNNRKKJAICKH-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2N4O2
- Average molar mass
- 275.09 g/mol
Names & identifiers
- Preferred name
- Ethyl 2,6-dichloro-9H-purine-9-acetate
- IUPAC
- ethyl 2-(2,6-dichloropurin-9-yl)acetate
Names & synonyms
171827-50-2Ethyl 2-(2,6-dichloro-9H-purin-9-yl)acetateEthyl 2,6-dichloro-9H-purine-9-acetateMFCD30471974ethyl 2-(2,6-dichloropurin-9-yl)acetateSCHEMBL945437CHEMBL3234427CTFNNRKKJAICKH-UHFFFAOYSA-NAKOS030628073AS-66022SY260559CS-0039495
Show more names
ethyl-2-(2,6-dichloro-9H-purin-9yl)acetateEthyl2-(2,6-dichloro-9H-purin-9-yl)acetateethyl-2-(2,6-dichloro-9H-purin-9-yl)acetateW127859-(carboxymethyl)-2,6-dichloropurine ethyl ester
Database identifiers
- PubChem CID
- 58102459
- ChEMBL
CHEMBL3234427- Nikkaji
- J705.069K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 294
Related reactions
1 records
Compound notes
Loading…