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116223-62-2 | 2(3H)-Benzothiazolone, 5-chloro-3-[2-oxo-2-(4-oxo-1-piperidinyl)ethyl]-
CAS No: 116223-62-2 Catalog No: AG000BZH MDL No:
Product Description
Catalog Number:
AG000BZH
Chemical Name:
2(3H)-Benzothiazolone, 5-chloro-3-[2-oxo-2-(4-oxo-1-piperidinyl)ethyl]-
CAS Number:
116223-62-2
Molecular Formula:
C14H13ClN2O3S
Molecular Weight:
324.7826
IUPAC Name:
5-chloro-3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-benzothiazol-2-one
InChI:
InChI=1S/C14H13ClN2O3S/c15-9-1-2-12-11(7-9)17(14(20)21-12)8-13(19)16-5-3-10(18)4-6-16/h1-2,7H,3-6,8H2
InChI Key:
BRVCKNVEWVGYRK-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)C(=O)Cn1c(=O)sc2c1cc(Cl)cc2
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.034g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.779g/mol
Monoisotopic Mass:
324.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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