Basic information
- CAS
79211-46-4- Standard SMILES
NC(=O)c1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I- InChIKey
KHTGTPXXKOLMEH-UHFFFAOYSA-N- Molecular formula
- C9H4I3NO5
- Average molar mass
- 586.84 g/mol
- Monoisotopic mass
- 586.72236623
Names & identifiers
- Preferred name
- 5-(Carbamoyl)-2,4,6-triiodoisophthalic acid
- IUPAC
- 5-carbamoyl-2,4,6-triiodobenzene-1,3-dicarboxylic acid
- English name
- 5-(carbamoyl)-2,4,6-triiodoisophthalic acid
- Molecular formula
- C9H4I3NO5
- Molecular weight
- 586.84517
Names & synonyms
5-(Carbamoyl)-2,4,6-triiodoisophthalic acid79211-46-4EINECS 279-113-4SCHEMBL9787543DTXSID2010003345-carbamoyl-2,4,6-triiodoisophthalic acid5-carbamoyl- 2,4,6-triiodoisophthalic acidNS000605145-[Hydroxy(imino)methyl]-2,4,6-triiodobenzene-1,3-dicarboxylic acid5-Acetamido-2,4,6-TriiodoisophthalicAcid5-(Aminocarbonyl)-2,4,6-triiodo-1,3-benzenedicarboxylic acid1,3-Benzenedicarboxylicacid, 5-(aminocarbonyl)-2,4,6-triiodo-
Database identifiers
- CAS
79211-46-4- PubChem CID
- 3018820
- DTXSID
DTXSID201000334- EC Number
- 279-113-4
- Nikkaji
- J319.246F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 362
Chemistry & industry
Suppliers1 total
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Related reactions
5 records
Compound notes
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