Basic information
- CAS
29193-38-2- Standard SMILES
CCCC(=O)N(CC)c1c(I)cc(I)c(CC(=O)O)c1I- InChIKey
RGOJOJDFCFWUCG-UHFFFAOYSA-N- Molecular formula
- C14H16I3NO3
- Average molar mass
- 626.99 g/mol
- Monoisotopic mass
- 626.8264
Names & identifiers
- Preferred name
- Acetic acid, (3-(N-ethylbutyramido)-2,4,6-triiodophenyl)-
- IUPAC
- 2-[3-[butanoyl(ethyl)amino]-2,4,6-triiodophenyl]acetic acid
- English name
- [3-(N-Ethylbutyrylamino)-2,4,6-triiodophenyl]acetic acid
- Molecular formula
- C14H16I3NO3
- Molecular weight
- 627
Names & synonyms
BRN 300697229193-38-2ACETIC ACID, (3-(N-ETHYLBUTYRAMIDO)-2,4,6-TRIIODOPHENYL)-(3-(N-Ethylbutyramido)-2,4,6-triiodophenyl)acetic acidDTXSID90183452RefChem:316187DTXCID00105943[3-(N-Ethylbutanamido)-2,4,6-triiodophenyl]acetic acid[3-(N-Ethylbutyrylamino)-2,4,6-triiodophenyl]acetic acidBenzeneacetic acid, 3-[ethyl(1-oxobutyl)amino]-2,4,6-triiodo-
Database identifiers
- CAS
29193-38-2- PubChem CID
- 34503
- DTXSID
DTXSID90183452- Nikkaji
- J54.214H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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