Acetic acid, 2-(3-(N-methylacetamido)-2,4,6-triiodophenoxy)-2-(o-tolyl)-
Basic information
- CAS
23197-57-1- Standard SMILES
CC(=O)N(C)c1c(I)cc(I)c(OC(C(=O)O)c2ccccc2C)c1I- InChIKey
LRJORYLDOVGSIS-UHFFFAOYSA-N- Molecular formula
- C18H16I3NO4
- Average molar mass
- 691 g/mol
- Monoisotopic mass
- 690.8214
Names & identifiers
- Preferred name
- Acetic acid, 2-(3-(N-methylacetamido)-2,4,6-triiodophenoxy)-2-(o-tolyl)-
- IUPAC
- 2-[3-[acetyl(methyl)amino]-2,4,6-triiodophenoxy]-2-(2-methylphenyl)acetic acid
- English name
- 2-[3-(N-Methylacetylamino)-2,4,6-triiodophenoxy]-2-(o-tolyl)acetic acid
- Molecular weight
- 0
Names & synonyms
BRN 291580923197-57-12-(3-(N-Methylacetamido)-2,4,6-triiodophenoxy)-2-(o-tolyl)acetic acidAcido (2-metilfenil)(3-N-metilacetilamino-2,4,6-triiodofenossi)acetico [Italian]Benzeneacetic acid, alpha-(3-(acetylmethylamino)-2,4,6-triiodophenoxy)-2-methyl-ACETIC ACID, 2-(3-(N-METHYLACETAMIDO)-2,4,6-TRIIODOPHENOXY)-2-(o-TOLYL)-Acido (2-metilfenil)(3-N-metilacetilamino-2,4,6-triiodofenossi)aceticoRefChem:316443Benzeneacetic acid, alpha-(3-(acetylmethylamino)-2,4,6-triiodophenoxy)-2-methyl-(9CI)DTXSID909458752-[3-(N-Methylacetylamino)-2,4,6-triiodophenoxy]-2-(o-tolyl)acetic acid(2-Methylphenyl)[2,4,6-triiodo-3-(N-methylacetamido)phenoxy]acetic acid
Show more names
{3-[acetyl(methyl)amino]-2,4,6-triiodophenoxy}(2-methylphenyl)acetic acid
Database identifiers
- CAS
23197-57-1- PubChem CID
- 31697
- DTXSID
DTXSID90945875- Nikkaji
- J86.245B
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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