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136803-28-6 | Iodonium, diphenyl-, carbonate (1:1)
CAS No: 136803-28-6 Catalog No: AG0012EB MDL No:
Product Description
Catalog Number:
AG0012EB
Chemical Name:
Iodonium, diphenyl-, carbonate (1:1)
CAS Number:
136803-28-6
Molecular Formula:
C13H11IO3
Molecular Weight:
342.1291
IUPAC Name:
diphenyliodanium;hydrogen carbonate
InChI:
InChI=1S/C12H10I.CH2O3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3)4/h1-10H;(H2,2,3,4)/q+1;/p-1
InChI Key:
SPBPCHPKSOFZQF-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)[I+]c1ccccc1.[O-]C(=O)O
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.975g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.132g/mol
Monoisotopic Mass:
341.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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