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Home > Pyridines > 209848-45-3
209848-45-3 | Pyridazine, 3-[(1,1-dimethylethyl)sulfinyl]-6-methoxy-
CAS No: 209848-45-3 Catalog No: AG002KFJ MDL No:
Product Description
Catalog Number:
AG002KFJ
Chemical Name:
Pyridazine, 3-[(1,1-dimethylethyl)sulfinyl]-6-methoxy-
CAS Number:
209848-45-3
Molecular Formula:
C9H14N2O2S
Molecular Weight:
214.2847
IUPAC Name:
3-tert-butylsulfinyl-6-methoxypyridazine
InChI:
InChI=1S/C9H14N2O2S/c1-9(2,3)14(12)8-6-5-7(13-4)10-11-8/h5-6H,1-4H3
InChI Key:
DNFVRCNRBBWZKM-UHFFFAOYSA-N
SMILES:
COc1ccc(nn1)S(=O)C(C)(C)C
NSC Number:
718221
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.078g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.283g/mol
Monoisotopic Mass:
214.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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