Basic information
- CAS
29193-36-0- Standard SMILES
CCCCN(C(C)=O)c1c(I)cc(I)c(CC(=O)O)c1I- InChIKey
KVWIXFJNISBPOD-UHFFFAOYSA-N- Molecular formula
- C14H16I3NO3
- Average molar mass
- 626.99 g/mol
- Monoisotopic mass
- 626.8264
Names & identifiers
- Preferred name
- Acetic acid, (3-(N-butylacetamido)-2,4,6-triiodophenyl)-
- IUPAC
- 2-[3-[acetyl(butyl)amino]-2,4,6-triiodophenyl]acetic acid
- English name
- [3-(N-Butylacetylamino)-2,4,6-triiodophenyl]acetic acid
- Molecular weight
- 0
Names & synonyms
BRN 300675429193-36-0ACETIC ACID, (3-(N-BUTYLACETAMIDO)-2,4,6-TRIIODOPHENYL)-(3-(N-Butylacetamido)-2,4,6-triiodophenyl)acetic acidDTXSID70183450[3-(N-Butylacetamido)-2,4,6-triiodophenyl]acetic acidRefChem:316184DTXCID80105941[3-(N-Butylacetylamino)-2,4,6-triiodophenyl]acetic acid
Database identifiers
- CAS
29193-36-0- PubChem CID
- 34501
- DTXSID
DTXSID70183450- Nikkaji
- J54.186I
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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