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146345-63-3 | 3(2H)-Isothiazolone, 2-(4,5-dichlorooctyl)-
CAS No: 146345-63-3 Catalog No: AG001DXO MDL No:
Product Description
Catalog Number:
AG001DXO
Chemical Name:
3(2H)-Isothiazolone, 2-(4,5-dichlorooctyl)-
CAS Number:
146345-63-3
Molecular Formula:
C11H17Cl2NOS
Molecular Weight:
282.2298
IUPAC Name:
2-(4,5-dichlorooctyl)-1,2-thiazol-3-one
InChI:
InChI=1S/C11H17Cl2NOS/c1-2-4-9(12)10(13)5-3-7-14-11(15)6-8-16-14/h6,8-10H,2-5,7H2,1H3
InChI Key:
WZSJCTXANRHVGN-UHFFFAOYSA-N
SMILES:
CCCC(C(CCCn1sccc1=O)Cl)Cl
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.223g/mol
Monoisotopic Mass:
281.041g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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