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Home Other Building Blocks Benzoic acid, 3,4,5-triiodo-

Benzoic acid, 3,4,5-triiodo-

CAS No.:
2338-20-7
Catalog Number:
AG002N19
Molecular Formula:
C7H3I3O2
Molecular Weight:
499.8109
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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
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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
499.727g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
499.812g/mol
Monoisotopic Mass:
499.727g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties