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1000576-70-4 | 3-Methyl-6-(4-methylphenylsulfonyl)pyridazine
CAS No: 1000576-70-4 Catalog No: AG01FA7B MDL No:
Product Description
Catalog Number:
AG01FA7B
Chemical Name:
3-Methyl-6-(4-methylphenylsulfonyl)pyridazine
CAS Number:
1000576-70-4
Molecular Formula:
C12H12N2O2S
Molecular Weight:
248.3009
IUPAC Name:
3-methyl-6-(4-methylphenyl)sulfonylpyridazine
InChI:
InChI=1S/C12H12N2O2S/c1-9-3-6-11(7-4-9)17(15,16)12-8-5-10(2)13-14-12/h3-8H,1-2H3
InChI Key:
UEQIOBKHSAWMBD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)c1ccc(nn1)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.3g/mol
Monoisotopic Mass:
248.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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