Acetic acid, (3-acetamido-2,4,6-triiodophenyl)-
Basic information
- CAS
3119-16-2- Standard SMILES
CC(=O)Nc1c(I)cc(I)c(CC(=O)O)c1I- InChIKey
NGCZJZSMDXQXCL-UHFFFAOYSA-N- Molecular formula
- C10H8I3NO3
- Average molar mass
- 570.89 g/mol
- Monoisotopic mass
- 570.7638
Names & identifiers
- Preferred name
- Acetic acid, (3-acetamido-2,4,6-triiodophenyl)-
- IUPAC
- 2-(3-acetamido-2,4,6-triiodophenyl)acetic acid
Names & synonyms
BRN 2753527(3-Acetamido-2,4,6-triiodophenyl)acetic acidACETIC ACID, (3-ACETAMIDO-2,4,6-TRIIODOPHENYL)-Acido 3-acetilamino-2,4,6-triiodofenilacetico [Italian]3119-16-2Acido 3-acetilamino-2,4,6-triiodofenilaceticoDTXSID20185121RefChem:316195DTXCID30107612
Database identifiers
- CAS
3119-16-2- PubChem CID
- 18388
- DTXSID
DTXSID20185121- Nikkaji
- J85.170A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 313
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Compound notes
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