6-Chloro-9-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)-9H-purine
Basic information
- CAS
122488-85-1- Standard SMILES
FC(F)(F)c1nc(Cl)c2ncn(Cc3ccc(Cl)c(Cl)c3)c2n1- InChIKey
RKVGVZQBJAKTHD-UHFFFAOYSA-N- Molecular formula
- C13H6Cl3F3N4
- Average molar mass
- 381.6 g/mol
- Monoisotopic mass
- 379.961014
Names & identifiers
- Preferred name
- 6-Chloro-9-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)-9H-purine
- IUPAC
- 6-chloro-9-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)purine
Names & synonyms
DTXSID001156404122488-85-16-Chloro-9-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)-9H-purine
Database identifiers
- CAS
122488-85-1- PubChem CID
- 85597800
- DTXSID
DTXSID001156404
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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