Benzoic acid, 3-acetamido-5-propionamido-2,4,6-triiodo-
Basic information
- CAS
19719-02-9- Standard SMILES
CCC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I- InChIKey
GLGWTRLACKFOMB-UHFFFAOYSA-N- Molecular formula
- C12H11I3N2O4
- Average molar mass
- 627.94 g/mol
- Monoisotopic mass
- 627.7853
Names & identifiers
- Preferred name
- Benzoic acid, 3-acetamido-5-propionamido-2,4,6-triiodo-
- IUPAC
- 3-acetamido-2,4,6-triiodo-5-(propanoylamino)benzoic acid
Names & synonyms
BENZOIC ACID, 3-ACETAMIDO-5-PROPIONAMIDO-2,4,6-TRIIODO-19719-02-9DTXSID60173385RefChem:1079068DTXCID1095876BRN 30067313-Acetamido-5-propionamido-2,4,6-triiodobenzoic acid3-acetamido-2,4,6-triiodo-5-propanamidobenzoic acidSCHEMBL8494612
Database identifiers
- CAS
19719-02-9- PubChem CID
- 29755
- DTXSID
DTXSID60173385- Nikkaji
- J35.622K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 435
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Compound notes
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