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Kathon 930
Typical physical and chemical properties
Catalog Number ACM64359815-1
Product Name Kathon 930
CAS 64359-81-5
Structure
Synonyms 4,5-Dichloro-2-octylisothiazol-3(2H)-one
IUPAC Name 4,5-Dichloro-2-octyl-1,2-thiazol-3-one
Molecular Weight 282.2
Molecular Formula C11H17Cl2NOS
SMILES CCCCCCCCN1C(=O)C(=C(S1)Cl)Cl
InChI InChI=1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3
InChIKey PORQOHRXAJJKGK-UHFFFAOYSA-N
Boiling Point 322.6±52.0 °C
Melting Point 43-45 °C
Purity 98%+
Density 1.25±0.1 g/cm3
Complexity 281
Exact Mass 281.0407907
Monoisotopic Mass 281.0407907
Formal Charge 0
Physical State White powder
Topological Polar Surface Area 45.6 Ų
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Heavy Atom Count 16
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
Isotope Atom Count 0
Rotatable Bond Count 7
Undefined Atom Stereocenter Count 0
Undefined Bond Stereocenter Count 0
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