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155164-59-3 | 3(2H)-Pyridazinone, 4,5-dichloro-2-[(4-methoxyphenyl)sulfonyl]-
CAS No: 155164-59-3 Catalog No: AG001NOB MDL No:
Product Description
Catalog Number:
AG001NOB
Chemical Name:
3(2H)-Pyridazinone, 4,5-dichloro-2-[(4-methoxyphenyl)sulfonyl]-
CAS Number:
155164-59-3
Molecular Formula:
C11H8Cl2N2O4S
Molecular Weight:
335.1632
IUPAC Name:
4,5-dichloro-2-(4-methoxyphenyl)sulfonylpyridazin-3-one
InChI:
InChI=1S/C11H8Cl2N2O4S/c1-19-7-2-4-8(5-3-7)20(17,18)15-11(16)10(13)9(12)6-14-15/h2-6H,1H3
InChI Key:
WFBHTTQUZXASMK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl
UNII:
2J425L4ZXH
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.958g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.155g/mol
Monoisotopic Mass:
333.958g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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