Basic information
- CAS
135048-43-0- Standard SMILES
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[NH+](CC)CC)c(I)c1- InChIKey
IYIKLHRQXLHMJQ-UHFFFAOYSA-O- Molecular formula
- C25H30I2NO3+
- Average molar mass
- 646.3 g/mol
- Monoisotopic mass
- 646.03151
Names & identifiers
- Preferred name
- [2-[4-[(2-Butylbenzofuran-3-yl)carbonyl]-2,6-diiodophenoxy]ethyl]diethylaminium
- IUPAC
- 2-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]ethyl-diethylazanium
Names & synonyms
HMS1361O16[2-[4-[(2-Butylbenzofuran-3-yl)carbonyl]-2,6-diiodophenoxy]ethyl]diethylaminium135048-43-0
Database identifiers
- CAS
135048-43-0- PubChem CID
- 2156
- Nikkaji
- J412.249F
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 1
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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