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161943-35-7 | Isothiazole, 4,5-dichloro-2,5-dihydro-2-octyl-
CAS No: 161943-35-7 Catalog No: AG001SJD MDL No:
Product Description
Catalog Number:
AG001SJD
Chemical Name:
Isothiazole, 4,5-dichloro-2,5-dihydro-2-octyl-
CAS Number:
161943-35-7
Molecular Formula:
C11H19Cl2NS
Molecular Weight:
268.2463
IUPAC Name:
4,5-dichloro-2-octyl-5H-1,2-thiazole
InChI:
InChI=1S/C11H19Cl2NS/c1-2-3-4-5-6-7-8-14-9-10(12)11(13)15-14/h9,11H,2-8H2,1H3
InChI Key:
JNOKMXAFUJREDK-UHFFFAOYSA-N
SMILES:
CCCCCCCCN1SC(C(=C1)Cl)Cl
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.24g/mol
Monoisotopic Mass:
267.062g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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