Basic information
- CAS
22708-48-1- Standard SMILES
Nc1c(I)cc(I)c(C(=O)Nc2ccc(CCC(=O)O)cc2)c1I- InChIKey
MFJHJTQAGFREML-UHFFFAOYSA-N- Molecular formula
- C16H13I3N2O3
- Average molar mass
- 662 g/mol
- Monoisotopic mass
- 661.806
Names & identifiers
- Preferred name
- Hydrocinnamic acid, p-(3-amino-2,4,6-triiodobenzamido)-
- IUPAC
- 3-[4-[(3-amino-2,4,6-triiodobenzoyl)amino]phenyl]propanoic acid
- English name
- 3-[4-[(3-amino-2,4,6-triiodo-benzoyl)amino]phenyl]propanoic acid
- Molecular formula
- C16H13I3N2O3
- Molecular weight
- 662
Names & synonyms
BRN 2904541Hydrocinnamic acid, p-(3-amino-2,4,6-triiodobenzamido)-22708-48-1p-(3-Amino-2,4,6-triiodobenzamido)hydrocinnamic acidBenzenepropanoic acid, 4-((3-amino-2,4,6-triiodobenzoyl)amino)-DTXSID30177239beta-(4-(3-Amino-2,4,6-trijod-benzoylamino)-phenyl)-propionsaure [German]beta-(4-(3-Amino-2,4,6-trijod-benzoylamino)-phenyl)-propionsaureRefChem:348323DTXCID00997303-[4-(3-Amino-2,4,6-triiodobenzamido)phenyl]propanoic acidBenzenepropanoic acid, 4-[(3-amino-2,4,6-triiodobenzoyl)amino]-
Show more names
3-[4-[(3-amino-2,4,6-triiodo-benzoyl)amino]phenyl]propanoic acid
Database identifiers
- CAS
22708-48-1- PubChem CID
- 64845
- DTXSID
DTXSID30177239
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
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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