Basic information
- CAS
13072-73-6- Standard SMILES
Nc1c(I)cc(I)c(CC(CCCC(=O)O)C(=O)O)c1I- InChIKey
NCIDMBOLXVEYDB-UHFFFAOYSA-N- Molecular formula
- C13H14I3NO4
- Average molar mass
- 628.97 g/mol
- Monoisotopic mass
- 628.8057
Names & identifiers
- Preferred name
- Adipic acid, 2-(3-amino-2,4,6-triiodobenzyl)-
- IUPAC
- 2-[(3-amino-2,4,6-triiodophenyl)methyl]hexanedioic acid
Names & synonyms
13072-73-6BRN 30387602-(3-Amino-2,4,6-triiodobenzyl)adipic acidHexanedioic acid, 2-(3-amino-2,4,6-triiodobenzyl)-Acido 2-(3-amino-2,4,6-triiodobenzil)adipico [Italian]ADIPIC ACID, 2-(3-AMINO-2,4,6-TRIIODOBENZYL)-Acido 2-(3-amino-2,4,6-triiodobenzil)adipicoRefChem:3172992-[(3-amino-2,4,6-triiodophenyl)methyl]hexanedioic acidDTXSID10926868
Database identifiers
- CAS
13072-73-6- PubChem CID
- 25671
- DTXSID
DTXSID10926868- Nikkaji
- J73.413F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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