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825634-22-8 | 3(2H)-Pyridazinone, 4,5-diiodo-2-(phenylmethyl)-
CAS No: 825634-22-8 Catalog No: AG004Y3X MDL No:
Product Description
Catalog Number:
AG004Y3X
Chemical Name:
3(2H)-Pyridazinone, 4,5-diiodo-2-(phenylmethyl)-
CAS Number:
825634-22-8
Molecular Formula:
C11H8I2N2O
Molecular Weight:
438.0030
IUPAC Name:
2-benzyl-4,5-diiodopyridazin-3-one
InChI:
InChI=1S/C11H8I2N2O/c12-9-6-14-15(11(16)10(9)13)7-8-4-2-1-3-5-8/h1-6H,7H2
InChI Key:
UZXVWUNZHIVPPI-UHFFFAOYSA-N
SMILES:
Ic1cnn(c(=O)c1I)Cc1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.873g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.007g/mol
Monoisotopic Mass:
437.873g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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