Basic information
- CAS
24340-11-2- Standard SMILES
CCCCN(C(C)=O)c1c(I)cc(I)c(OCC(=O)O)c1I- InChIKey
HQJHGMZZVJCZSW-UHFFFAOYSA-N- Molecular formula
- C14H16I3NO4
- Average molar mass
- 642.99 g/mol
- Monoisotopic mass
- 642.8214
Names & identifiers
- Preferred name
- Acetic acid, (3-(N-butylacetamido)-2,4,6-triiodophenoxy)-
- IUPAC
- 2-[3-[acetyl(butyl)amino]-2,4,6-triiodophenoxy]acetic acid
Names & synonyms
BRN 2673951ACETIC ACID, (3-(N-BUTYLACETAMIDO)-2,4,6-TRIIODOPHENOXY)-24340-11-2(3-(N-Butylacetamido)-2,4,6-triiodophenoxy)acetic acidDTXSID50179078[3-(N-Butylacetamido)-2,4,6-triiodophenoxy]acetic acidRefChem:316183DTXCID80101569
Database identifiers
- CAS
24340-11-2- PubChem CID
- 32295
- DTXSID
DTXSID50179078- Nikkaji
- J85.204J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…