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142260-70-6 | 1,2-Benziodoxol-3(1H)-one, 1-[(1,1-dimethylethyl)dioxy]-
CAS No: 142260-70-6 Catalog No: AG001I39 MDL No:
Product Description
Catalog Number:
AG001I39
Chemical Name:
1,2-Benziodoxol-3(1H)-one, 1-[(1,1-dimethylethyl)dioxy]-
CAS Number:
142260-70-6
Molecular Formula:
C11H13IO4
Molecular Weight:
336.1230
IUPAC Name:
1-tert-butylperoxy-1λ3,2-benziodoxol-3-one
InChI:
InChI=1S/C11H13IO4/c1-11(2,3)15-16-12-9-7-5-4-6-8(9)10(13)14-12/h4-7H,1-3H3
InChI Key:
NATGCBBISNEFGA-UHFFFAOYSA-N
SMILES:
O=C1O[I](c2c1cccc2)OOC(C)(C)C
Properties
Complexity:
274
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:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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