Basic information
- CAS
60075-62-9- Standard SMILES
CC(=O)Nc1c(I)cc(I)c(CO)c1I- InChIKey
XVGCEJOSZYXVPN-UHFFFAOYSA-N- Molecular formula
- C9H8I3NO2
- Average molar mass
- 542.88 g/mol
- Monoisotopic mass
- 542.7689
Names & identifiers
- Preferred name
- Acetanilide, 3'-(hydroxymethyl)-2',4',6'-triiodo-
- IUPAC
- N-[3-(hydroxymethyl)-2,4,6-triiodophenyl]acetamide
- English name
- 3'-(Hydroxymethyl)-2',4',6'-triiodoacetanilide
- Molecular formula
- C9H8I3NO2
- Molecular weight
- 542.88
Names & synonyms
60075-62-9BRN 2943367ACETANILIDE, 3'-(HYDROXYMETHYL)-2',4',6'-TRIIODO-3'-(Hydroxymethyl)-2',4',6'-triiodoacetanilideAcetamide, N-(3-(hydroxymethyl)-2,4,6-triiodophenyl)-DTXSID80208800RefChem:315769DTXCID90131291N-[3-(hydroxymethyl)-2,4,6-triiodophenyl]acetamideDB-293729Acetamide, N-[3-(hydroxymethyl)-2,4,6-triiodophenyl]-
Database identifiers
- CAS
60075-62-9- PubChem CID
- 43191
- DTXSID
DTXSID80208800- Nikkaji
- J73.585J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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