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19169-97-2 | Iodine, bis(acetato-κO)(3-methylphenyl)-
CAS No: 19169-97-2 Catalog No: AG002FF3 MDL No:
Product Description
Catalog Number:
AG002FF3
Chemical Name:
Iodine, bis(acetato-κO)(3-methylphenyl)-
CAS Number:
19169-97-2
Molecular Formula:
C11H13IO4
Molecular Weight:
336.1230
IUPAC Name:
[acetyloxy-(3-methylphenyl)-λ3-iodanyl] acetate
InChI:
InChI=1S/C11H13IO4/c1-8-5-4-6-11(7-8)12(15-9(2)13)16-10(3)14/h4-7H,1-3H3
InChI Key:
GYZBFMJVJGCOQB-UHFFFAOYSA-N
SMILES:
CC(=O)O[I](c1cccc(c1)C)OC(=O)C
NSC Number:
226372
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.986g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.125g/mol
Monoisotopic Mass:
335.986g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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