Basic information
- CAS
1955-06-2- Standard SMILES
CCCCCC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)NC)c1I- InChIKey
SLGLPCPQENJRPF-UHFFFAOYSA-N- Molecular formula
- C15H17I3N2O4
- Average molar mass
- 670.02 g/mol
- Monoisotopic mass
- 669.8322
Names & identifiers
- Preferred name
- 3-(hexanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoic Acid
- IUPAC
- 3-(hexanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
- English name
- 5-(Hexanoylamino)-3-(methylcarbamoyl)-2,4,6-triiodobenzoic acid
- Molecular weight
- 0
Names & synonyms
3-(hexanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoic Acid1955-06-2DTXSID40275553SLGLPCPQENJRPF-UHFFFAOYSA-N3-hexanamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid5-(Hexanoylamino)-3-(methylcarbamoyl)-2,4,6-triiodobenzoic acid
Database identifiers
- CAS
1955-06-2- PubChem CID
- 49800
- DTXSID
DTXSID40275553- Nikkaji
- J41.105A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 478
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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