Basic information
- CAS
22708-47-0- Standard SMILES
Nc1c(I)cc(I)c(C(=O)Nc2cccc(CCC(=O)O)c2)c1I- InChIKey
LYYDOVGTHINNFB-UHFFFAOYSA-N- Molecular formula
- C16H13I3N2O3
- Average molar mass
- 662 g/mol
- Monoisotopic mass
- 661.806
Names & identifiers
- Preferred name
- Hydrocinnamic acid, m-(3-amino-2,4,6-triiodobenzamido)-
- IUPAC
- 3-[3-[(3-amino-2,4,6-triiodobenzoyl)amino]phenyl]propanoic acid
- English name
- 3-[3-[(3-amino-2,4,6-triiodo-benzoyl)amino]phenyl]propanoic acid
- Molecular formula
- C16H13I3N2O3
- Molecular weight
- 0
Names & synonyms
22708-47-0BRN 2907587Hydrocinnamic acid, m-(3-amino-2,4,6-triiodobenzamido)-m-(3-Amino-2,4,6-triiodobenzamido)hydrocinnamic acidBenzenepropanoic acid, 3-((3-amino-2,4,6-triiodobenzoyl)amino)-DTXSID70177238beta-(3-(3-Amino-2,4,6-trijod-benzoylamino)-phenyl)-propionsaure [German]beta-(3-(3-Amino-2,4,6-trijod-benzoylamino)-phenyl)-propionsaureRefChem:348318DTXCID10997293-[3-(3-Amino-2,4,6-triiodobenzamido)phenyl]propanoic acid3-[3-[(3-amino-2,4,6-triiodo-benzoyl)amino]phenyl]propanoic acid
Database identifiers
- CAS
22708-47-0- PubChem CID
- 64844
- DTXSID
DTXSID70177238
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…