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73698-48-3 | 3H-1,2-Benziodoxol-1-ium,3-oxo-, chloride (1:1)
CAS No: 73698-48-3 Catalog No: AG005BYT MDL No:
Product Description
Catalog Number:
AG005BYT
Chemical Name:
3H-1,2-Benziodoxol-1-ium,3-oxo-, chloride (1:1)
CAS Number:
73698-48-3
Molecular Formula:
C7H4ClIO2
Molecular Weight:
282.4629
IUPAC Name:
7-iodonia-8-oxabicyclo[4.3.0]nona-1,3,5-trien-9-one;chloride
InChI:
InChI=1S/C7H4IO2.ClH/c9-7-5-3-1-2-4-6(5)8-10-7;/h1-4H;1H/q+1;/p-1
InChI Key:
NNAOTJUNPWKNLV-UHFFFAOYSA-M
SMILES:
O=C1O[I+]c2c1cccc2.[Cl-]
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.894g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.461g/mol
Monoisotopic Mass:
281.894g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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