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2,3,5-Triiodobenzoic Acid

CAT: 0063-90028179Size: 25 gDry Ice: NoHazardous: No
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CAS Number
88-82-4

Chemical Information

2,3,5-Triiodobenzoic acid

2,3,5-triiodobenzoic acid is a member of the class of benzoic acids that is benzoic acid in which the hydrogens at positions 2, 3 and 5 are replaced by iodine atoms. It is an auxin polar transport inhibitor. It has a role as a member of antiauxins. It is a member of benzoic acids and an organoiodine compound.

CAS Number88-82-4
PubChem CID6948
IUPAC Name2,3,5-triiodobenzoic acid
Molecular FormulaC7H3I3O2
Molecular Weight499.81
XLogP3.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity185
SMILES
C1=C(C=C(C(=C1C(=O)O)I)I)I
InChI
InChI=1S/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
InChIKey
ZMZGFLUUZLELNE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3,5-Triiodobenzoic acid
CAS: 88-82-4
CID: 6948
Formula: C7H3I3O2
MW: 499.81
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight499.81
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass499.7267
Monoisotopic Mass499.7267
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity185
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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