Basic information
- CAS
40499-60-3- Standard SMILES
O=C1NC(=O)C(CCI)(CCI)C(=O)N1- InChIKey
CHTHNKAHEUVTSW-UHFFFAOYSA-N- Molecular formula
- C8H10I2N2O3
- Average molar mass
- 435.99 g/mol
- Monoisotopic mass
- 435.87809
Names & identifiers
- Preferred name
- 5,5-Bis(2-iodoethyl)pyrimidine-2,4,6(1h,3h,5h)-trione
- IUPAC
- 5,5-bis(2-iodoethyl)-1,3-diazinane-2,4,6-trione
Names & synonyms
40499-60-35,5-bis(2-iodoethyl)-1,3-diazinane-2,4,6-trione5,5-bis(2-iodoethyl)pyrimidine-2,4,6(1h,3h,5h)-trioneNSC116036DTXSID80297456NSC-116036
Database identifiers
- CAS
40499-60-3- PubChem CID
- 272005
- DTXSID
DTXSID80297456
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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