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155164-54-8 | 3(2H)-Pyridazinone, 4,5-dichloro-2-(ethylsulfonyl)-
CAS No: 155164-54-8 Catalog No: AG001NOD MDL No:
Product Description
Catalog Number:
AG001NOD
Chemical Name:
3(2H)-Pyridazinone, 4,5-dichloro-2-(ethylsulfonyl)-
CAS Number:
155164-54-8
Molecular Formula:
C6H6Cl2N2O3S
Molecular Weight:
257.0944
IUPAC Name:
4,5-dichloro-2-ethylsulfonylpyridazin-3-one
InChI:
InChI=1S/C6H6Cl2N2O3S/c1-2-14(12,13)10-6(11)5(8)4(7)3-9-10/h3H,2H2,1H3
InChI Key:
VTHIRGKWFPXTDZ-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)n1ncc(c(c1=O)Cl)Cl
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.948g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.085g/mol
Monoisotopic Mass:
255.948g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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