Basic information
- CAS
24340-24-7- Standard SMILES
CCC(=O)N(C)c1c(I)cc(I)c(OC(CC)C(=O)O)c1I- InChIKey
VQEBNUWPANOILF-UHFFFAOYSA-N- Molecular formula
- C14H16I3NO4
- Average molar mass
- 642.99 g/mol
- Monoisotopic mass
- 642.8214
Names & identifiers
- Preferred name
- Butyric acid, 2-(3-(N-methylpropionamido)-2,4,6-triiodophenoxy)-
- IUPAC
- 2-[2,4,6-triiodo-3-[methyl(propanoyl)amino]phenoxy]butanoic acid
- English name
- 2-[3-(N-Methylpropionylamino)-2,4,6-triiodophenoxy]butyric acid
- Molecular formula
- C14H16I3NO4
- Molecular weight
- 642.99
Names & synonyms
BRN 267562724340-24-72-(3-(N-Methylpropionamido)-2,4,6-triiodophenoxy)butyric acidBUTYRIC ACID, 2-(3-(N-METHYLPROPIONAMIDO)-2,4,6-TRIIODOPHENOXY)-RefChem:331244DTXSID809471812-[2,4,6-triiodo-3-(N-methylpropanamido)phenoxy]butanoic acid2-{2,4,6-triiodo-3-[methyl(propanoyl)amino]phenoxy}butanoic acid2-[3-(N-Methylpropionylamino)-2,4,6-triiodophenoxy]butyric acidButanoic acid, 2-[2,4,6-triiodo-3-[methyl(1-oxopropyl)amino]phenoxy]-
Database identifiers
- CAS
24340-24-7- PubChem CID
- 32302
- DTXSID
DTXSID80947181- Nikkaji
- J67.396J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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