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86165-16-4 | 1,2-Benzisothiazol-3(2H)-one, 2-(2-chloroethyl)-, 1,1-dioxide
CAS No: 86165-16-4 Catalog No: AG004TJF MDL No:
Product Description
Catalog Number:
AG004TJF
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 2-(2-chloroethyl)-, 1,1-dioxide
CAS Number:
86165-16-4
Molecular Formula:
C9H8ClNO3S
Molecular Weight:
245.6827
IUPAC Name:
2-(2-chloroethyl)-1,1-dioxo-1,2-benzothiazol-3-one
InChI:
InChI=1S/C9H8ClNO3S/c10-5-6-11-9(12)7-3-1-2-4-8(7)15(11,13)14/h1-4H,5-6H2
InChI Key:
LQRSYASBOWNSKJ-UHFFFAOYSA-N
SMILES:
ClCCN1C(=O)c2c(S1(=O)=O)cccc2
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.677g/mol
Monoisotopic Mass:
244.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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