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89778-82-5 | Imidazo[1,2-b]pyridazine, 6-methoxy-2-phenyl-, 1-oxide
CAS No: 89778-82-5 Catalog No: AG00400K MDL No:
Product Description
Catalog Number:
AG00400K
Chemical Name:
Imidazo[1,2-b]pyridazine, 6-methoxy-2-phenyl-, 1-oxide
CAS Number:
89778-82-5
Molecular Formula:
C13H11N3O2
Molecular Weight:
241.2453
IUPAC Name:
6-methoxy-1-oxido-2-phenylimidazo[1,2-b]pyridazin-1-ium
InChI:
InChI=1S/C13H11N3O2/c1-18-12-7-8-13-15(14-12)9-11(16(13)17)10-5-3-2-4-6-10/h2-9H,1H3
InChI Key:
XVYBJUXSZOLXCF-UHFFFAOYSA-N
SMILES:
COc1ccc2n(n1)cc([n+]2[O-])c1ccccc1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.25g/mol
Monoisotopic Mass:
241.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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