CAS 2338-20-7 | Benzoic acid, 3,4,5-triiodo- | CAS Number 2338-20-7

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2338-20-7 | Benzoic acid, 3,4,5-triiodo-

CAS No: 2338-20-7 Catalog No: AG002N19 MDL No:MFCD00016513

Product Description

Catalog Number:

AG002N19

Chemical Name:

Benzoic acid, 3,4,5-triiodo-

CAS Number:

2338-20-7

Molecular Formula:

C7H3I3O2

Molecular Weight:

499.8109

MDL Number:

MFCD00016513

IUPAC Name:

3,4,5-triiodobenzoic acid

InChI:

InChI=1S/C7H3I3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)

InChI Key:

UCBKDZNMPMBJAB-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(I)c(c(c1)I)I

EC Number:

219-050-1

NSC Number:

11811

Properties

Complexity:

174

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

499.727g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

499.812g/mol

Monoisotopic Mass:

499.727g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
On imparting radiopacity to a poly(urethane urea).	Biomaterials 20070701
Polyurethanes with radiopaque properties.	Biomaterials 20060101
Analysis of indole-3-butyric acid-induced adventitious root formation on Arabidopsis stem segments.	Journal of experimental botany 20050801