2H-1,4-Benzothiazin-3(4H)-one, 7-chloro-


Chemical Name: 2H-1,4-Benzothiazin-3(4H)-one, 7-chloro-
CAS Number: 5333-05-1
Product Number: AG003NE6(AGN-PC-0JN9J3)
Synonyms:
MDL No:
Molecular Formula: C8H6ClNOS
Molecular Weight: 199.65734

Identification/Properties


Computed Properties
Molecular Weight:
199.652g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
198.986g/mol
Monoisotopic Mass:
198.986g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
200
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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