Basic information
- CAS
29193-39-3- Standard SMILES
CCCC(=O)N(CCC)c1c(I)cc(I)c(CC(=O)O)c1I- InChIKey
FZEYRCJCXPJRBH-UHFFFAOYSA-N- Molecular formula
- C15H18I3NO3
- Average molar mass
- 641.02 g/mol
- Monoisotopic mass
- 640.8421
Names & identifiers
- Preferred name
- Acetic acid, (3-(N-propylbutyramido)-2,4,6-triiodophenyl)-
- IUPAC
- 2-[3-[butanoyl(propyl)amino]-2,4,6-triiodophenyl]acetic acid
- English name
- [2,4,6-Triiodo-3-(N-propylbutyrylamino)phenyl]acetic acid
- Molecular weight
- 0
Names & synonyms
BRN 3007360ACETIC ACID, (3-(N-PROPYLBUTYRAMIDO)-2,4,6-TRIIODOPHENYL)-29193-39-3(3-(N-Propylbutyramido)-2,4,6-triiodophenyl)acetic acidDTXSID50183453RefChem:316193DTXCID60105944[2,4,6-Triiodo-3-(N-propylbutanamido)phenyl]acetic acid[2,4,6-Triiodo-3-(N-propylbutyrylamino)phenyl]acetic acid
Database identifiers
- CAS
29193-39-3- PubChem CID
- 34504
- DTXSID
DTXSID50183453- Nikkaji
- J54.967C
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…