Basic information
- CAS
29755-35-9- Standard SMILES
O=C(O)c1c(I)c(I)c(C(=O)N2CCOCC2)c(I)c1I- InChIKey
YWYSIZPQBHZBCB-UHFFFAOYSA-N- Molecular formula
- C12H9I4NO4
- Average molar mass
- 738.82 g/mol
- Monoisotopic mass
- 738.671
Names & identifiers
- Preferred name
- Benzoic acid, 4-(4-morpholinylcarbonyl)-2,3,5,6-tetraiodo-
- IUPAC
- 2,3,5,6-tetraiodo-4-(morpholine-4-carbonyl)benzoic acid
Names & synonyms
BRN 1226120Benzoic acid, 4-(4-morpholinylcarbonyl)-2,3,5,6-tetraiodo-Tetrajodterephthalsaure-monomorpholidTetrajodterephthalsaure-monomorpholid [German]4-(4-Morpholinylcarbonyl)-2,3,5,6-tetraiodobenzoic acid29755-35-9DTXSID80183906RefChem:327440DTXCID801063972,3,5,6-tetraiodo-4-(morpholine-4-carbonyl)benzoic acid
Database identifiers
- CAS
29755-35-9- PubChem CID
- 207356
- DTXSID
DTXSID80183906
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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