Acetic acid, 2-(3-acetamido-2,4,6-triiodophenoxy)-2-(p-tolyl)-
Basic information
- CAS
23189-44-8- Standard SMILES
CC(=O)Nc1c(I)cc(I)c(OC(C(=O)O)c2ccc(C)cc2)c1I- InChIKey
JFUOZKRPLNVNTG-UHFFFAOYSA-N- Molecular formula
- C17H14I3NO4
- Average molar mass
- 677.01 g/mol
- Monoisotopic mass
- 676.8057
Names & identifiers
- Preferred name
- Acetic acid, 2-(3-acetamido-2,4,6-triiodophenoxy)-2-(p-tolyl)-
- IUPAC
- 2-(3-acetamido-2,4,6-triiodophenoxy)-2-(4-methylphenyl)acetic acid
- English name
- 2-[3-(Acetylamino)-2,4,6-triiodophenoxy]-2-(p-tolyl)acetic acid
- Molecular weight
- 0
Names & synonyms
BRN 291344123189-44-82-(3-Acetamido-2,4,6-triiodophenoxy)-2-(p-tolyl)acetic acidACETIC ACID, 2-(3-ACETAMIDO-2,4,6-TRIIODOPHENOXY)-2-(p-TOLYL)-Acido (4-metilfenil)(3-acetilamino-2,4,6-triiodofenossi)acetico [Italian]Benzeneacetic acid, alpha-(3-(acetylamino)-2,4,6-triiodophenoxy)-4-methyl-Acido (4-metilfenil)(3-acetilamino-2,4,6-triiodofenossi)aceticoRefChem:316453Benzeneacetic acid, alpha-(3-(acetylamino)-2,4,6-triiodophenoxy)-4-methyl-(9CI)DTXSID809458642-[3-(Acetylamino)-2,4,6-triiodophenoxy]-2-(p-tolyl)acetic acid{3-[(1-Hydroxyethylidene)amino]-2,4,6-triiodophenoxy}(4-methylphenyl)acetic acid
Database identifiers
- CAS
23189-44-8- PubChem CID
- 31689
- DTXSID
DTXSID80945864- Nikkaji
- J85.169H
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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