Basic information
- CAS
19716-24-6- Standard SMILES
O=c1ncc2[nH]c(I)nc2[nH]1- InChIKey
DGIDEVXCISWSNP-UHFFFAOYSA-N- Molecular formula
- C5H3IN4O
- Average molar mass
- 262.01 g/mol
- Monoisotopic mass
- 261.93516
Names & identifiers
- Preferred name
- 8-Iodo-3,7-dihydro-2h-purin-2-one
- IUPAC
- 8-iodo-3,7-dihydropurin-2-one
Names & synonyms
19716-24-68-iodo-3,7-dihydro-2h-purin-2-oneNSC1123982H-Purin-2-one,3,9-dihydro-8-iodo-DTXSID50296875NSC-112398DS-013347
Database identifiers
- CAS
19716-24-6- PubChem CID
- 270201
- DTXSID
DTXSID50296875
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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