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Iopamidol Impurity 24

CAT: 1299-RM-I151624-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I151624-01Size:10 mg
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CAS Number
2756222-40-7
Synonyms
5-amino-4-chloro-2,6-diiodoisophthaloyl dichloride
Molecular Formula
C8H2Cl3I2NO2
Molecular Weight
504.27
Target Alternative Name
Iopamidol
Product Name Synonym
5-amino-4-chloro-2,6-diiodoisophthaloyl dichloride

Chemical Information

5-Amino-4-chloro-2,6-diiodobenzene-1,3-dicarbonyl chloride
CAS Number2756222-40-7
PubChem CID162513030
IUPAC Name5-amino-4-chloro-2,6-diiodobenzene-1,3-dicarbonyl chloride
Molecular FormulaC8H2Cl3I2NO2
Molecular Weight504.3
XLogP4.2
Topological Polar Surface Area60.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity318
SMILES
C1(=C(C(=C(C(=C1I)C(=O)Cl)I)N)Cl)C(=O)Cl
InChI
InChI=1S/C8H2Cl3I2NO2/c9-3-1(7(10)15)4(12)2(8(11)16)5(13)6(3)14/h14H2
InChIKey
SAXCGRUSOPEEID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Amino-4-chloro-2,6-diiodobenzene-1,3-dicarbonyl chloride
CAS: 2756222-40-7
CID: 162513030
Formula: C8H2Cl3I2NO2
MW: 504.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.3
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass502.72406
Monoisotopic Mass502.72406
Topological Polar Surface Area60.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity318
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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