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920490-93-3 | 2(1H)-Pyridinone, 3,5-diiodo-4-methoxy-1-(phenylmethyl)-
CAS No: 920490-93-3 Catalog No: AG006EJW MDL No:
Product Description
Catalog Number:
AG006EJW
Chemical Name:
2(1H)-Pyridinone, 3,5-diiodo-4-methoxy-1-(phenylmethyl)-
CAS Number:
920490-93-3
Molecular Formula:
C13H11I2NO2
Molecular Weight:
467.0409
IUPAC Name:
1-benzyl-3,5-diiodo-4-methoxypyridin-2-one
InChI:
InChI=1S/C13H11I2NO2/c1-18-12-10(14)8-16(13(17)11(12)15)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChI Key:
FNMZUVZDWUASTO-UHFFFAOYSA-N
SMILES:
COc1c(I)cn(c(=O)c1I)Cc1ccccc1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.888g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
467.045g/mol
Monoisotopic Mass:
466.888g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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