Benzoic acid, 3-lauramido-2,4,6-triiodo-
Basic information
- CAS
86166-47-4- Standard SMILES
CCCCCCCCCCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I- InChIKey
NXGLETXJYBGNRM-UHFFFAOYSA-N- Molecular formula
- C19H26I3NO3
- Average molar mass
- 697.1 g/mol
- Monoisotopic mass
- 696.9047
Names & identifiers
- Preferred name
- Benzoic acid, 3-lauramido-2,4,6-triiodo-
- IUPAC
- 3-(dodecanoylamino)-2,4,6-triiodobenzoic acid
Names & synonyms
BENZOIC ACID, 3-LAURAMIDO-2,4,6-TRIIODO-86166-47-4BRN 34673663-Lauroylamino-2,4,6-triiodobenzoic acid3-Lauramido-2,4,6-triiodobenzoic acidBenzoic acid, 2,4,6-triiodo-3-((1-oxododecyl)amino)-3-dodecanamido-2,4,6-triiodobenzoic acidDTXSID60235432
Database identifiers
- CAS
86166-47-4- PubChem CID
- 55478
- DTXSID
DTXSID60235432- Nikkaji
- J87.225C
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 436
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Compound notes
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