Basic information
- CAS
116392-90-6- Standard SMILES
O=c1ncc(I)cn1COc1ccccc1- InChIKey
QVBOQYIHKBZXEZ-UHFFFAOYSA-N- Molecular formula
- C11H9IN2O2
- Average molar mass
- 328.11 g/mol
- Monoisotopic mass
- 327.97088
Names & identifiers
- Preferred name
- 5-Iodo-1-(phenoxymethyl)pyrimidin-2(1H)-one
- IUPAC
- 5-iodo-1-(phenoxymethyl)pyrimidin-2-one
Names & synonyms
116392-90-65-Iodo-1-(phenoxymethyl)pyrimidin-2(1H)-oneDTXSID60551523
Database identifiers
- CAS
116392-90-6- PubChem CID
- 13865836
- DTXSID
DTXSID60551523
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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