Basic information
- CAS
67011-41-0- Standard SMILES
CCCCCCC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I- InChIKey
HESZIOFDZNOPPU-UHFFFAOYSA-N- Molecular formula
- C16H19I3N2O4
- Average molar mass
- 684.05 g/mol
- Monoisotopic mass
- 683.8479
Names & identifiers
- Preferred name
- Benzoic acid, 3-acetamido-5-heptanamido-2,4,6-triiodo-
- IUPAC
- 3-acetamido-5-(heptanoylamino)-2,4,6-triiodobenzoic acid
Names & synonyms
BRN 34766343-Acetamido-5-heptanamido-2,4,6-triiodobenzoic acidBENZOIC ACID, 3-ACETAMIDO-5-HEPTANAMIDO-2,4,6-TRIIODO-67011-41-0DTXSID002172124-14-00-01310 (Beilstein Handbook Reference)RefChem:327181DTXCID00139703
Database identifiers
- CAS
67011-41-0- PubChem CID
- 48848
- DTXSID
DTXSID00217212- Nikkaji
- J71.598K
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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