Basic information
- CAS
19719-03-0- Standard SMILES
CCCC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I- InChIKey
IPNDNFJSENPAHV-UHFFFAOYSA-N- Molecular formula
- C13H13I3N2O4
- Average molar mass
- 641.97 g/mol
- Monoisotopic mass
- 641.8009
Names & identifiers
- Preferred name
- Benzoic acid, 3-acetamido-5-butyramido-2,4,6-triiodo-
- IUPAC
- 3-acetamido-5-(butanoylamino)-2,4,6-triiodobenzoic acid
Names & synonyms
BENZOIC ACID, 3-ACETAMIDO-5-BUTYRAMIDO-2,4,6-TRIIODO-19719-03-0BRN 30074063-Acetamido-5-butyramido-2,4,6-triiodobenzoic acidDTXSID201733863-Acetamido-5-butanamido-2,4,6-triiodobenzoic acid
Database identifiers
- CAS
19719-03-0- PubChem CID
- 29756
- DTXSID
DTXSID20173386- Nikkaji
- J41.226K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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