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Home > Imidazoles > 113121-34-9
113121-34-9 | Imidazo[1,2-b]pyridazine, 3-methoxy-6-(methylsulfonyl)-2-phenyl-
CAS No: 113121-34-9 Catalog No: AG0081KW MDL No:
Product Description
Catalog Number:
AG0081KW
Chemical Name:
Imidazo[1,2-b]pyridazine, 3-methoxy-6-(methylsulfonyl)-2-phenyl-
CAS Number:
113121-34-9
Molecular Formula:
C14H13N3O3S
Molecular Weight:
303.3363
IUPAC Name:
3-methoxy-6-methylsulfonyl-2-phenylimidazo[1,2-b]pyridazine
InChI:
InChI=1S/C14H13N3O3S/c1-20-14-13(10-6-4-3-5-7-10)15-11-8-9-12(16-17(11)14)21(2,18)19/h3-9H,1-2H3
InChI Key:
WFNQEYAKXJRKSL-UHFFFAOYSA-N
SMILES:
COc1c(nc2n1nc(cc2)S(=O)(=O)C)c1ccccc1
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.068g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.336g/mol
Monoisotopic Mass:
303.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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