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17274-12-3 | 2,3,5-Triiodobenzoic acid, sodium salt
CAS No: 17274-12-3 Catalog No: AG007VP6 MDL No:
Product Description
Catalog Number:
AG007VP6
Chemical Name:
2,3,5-Triiodobenzoic acid, sodium salt
CAS Number:
17274-12-3
Molecular Formula:
C7H2I3NaO2
Molecular Weight:
521.7928
IUPAC Name:
sodium;2,3,5-triiodobenzoate
InChI:
InChI=1S/C7H3I3O2.Na/c8-3-1-4(7(11)12)6(10)5(9)2-3;/h1-2H,(H,11,12);/q;+1/p-1
InChI Key:
LJJUZMKVODOVJY-UHFFFAOYSA-M
SMILES:
Ic1cc(I)c(c(c1)C(=O)[O-])I.[Na+]
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
521.709g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
521.794g/mol
Monoisotopic Mass:
521.709g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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