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68062-37-3 | 1,3-Isobenzofurandione, 4,5-diiodo-
CAS No: 68062-37-3 Catalog No: AG005NJN MDL No:
Product Description
Catalog Number:
AG005NJN
Chemical Name:
1,3-Isobenzofurandione, 4,5-diiodo-
CAS Number:
68062-37-3
Molecular Formula:
C8H2I2O3
Molecular Weight:
399.9086
IUPAC Name:
4,5-diiodo-2-benzofuran-1,3-dione
InChI:
InChI=1S/C8H2I2O3/c9-4-2-1-3-5(6(4)10)8(12)13-7(3)11/h1-2H
InChI Key:
BYDZJRFKDVNUJZ-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c1c(I)c(cc2)I
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.809g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.91g/mol
Monoisotopic Mass:
399.809g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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