9H-Purine, 6-chloro-2-iodo-9-(phenylmethyl)-
Basic information
- CAS
176515-41-6- Standard SMILES
Clc1nc(I)nc2c1ncn2Cc1ccccc1- InChIKey
AHKGTSBDRDNGCM-UHFFFAOYSA-N- Molecular formula
- C12H8ClIN4
- Average molar mass
- 370.57 g/mol
- Monoisotopic mass
- 369.94822
Names & identifiers
- Preferred name
- 9H-Purine, 6-chloro-2-iodo-9-(phenylmethyl)-
- IUPAC
- 9-benzyl-6-chloro-2-iodopurine
Names & synonyms
176515-41-6DTXSID303328069H-Purine, 6-chloro-2-iodo-9-(phenylmethyl)-RefChem:313591DTXCID802838999-Benzyl-6-chloro-2-iodo-9H-purineCHEMBL193129-benzyl-6-chloro-2-iodo-purine
Database identifiers
- CAS
176515-41-6- PubChem CID
- 466482
- DTXSID
DTXSID30332806- ChEMBL
CHEMBL19312- Nikkaji
- J1.341.232D
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…