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83031-68-9 | Iodonium, bis(3-carboxyphenyl)-, bromide
CAS No: 83031-68-9 Catalog No: AG005DJM MDL No:
Product Description
Catalog Number:
AG005DJM
Chemical Name:
Iodonium, bis(3-carboxyphenyl)-, bromide
CAS Number:
83031-68-9
Molecular Formula:
C14H10BrIO4
Molecular Weight:
449.0353
IUPAC Name:
bis(3-carboxyphenyl)iodanium;bromide
InChI:
InChI=1S/C14H9IO4.BrH/c16-13(17)9-3-1-5-11(7-9)15-12-6-2-4-10(8-12)14(18)19;/h1-8H,(H-,16,17,18,19);1H
InChI Key:
VTOITNZYALCDDD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)[I+]c1cccc(c1)C(=O)O.[Br-]
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.881g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
449.038g/mol
Monoisotopic Mass:
447.881g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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