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51360-57-7 | 3-Acetyl-2-benzothiazolone
CAS No: 51360-57-7 Catalog No: AG00DFQV MDL No:
Product Description
Catalog Number:
AG00DFQV
Chemical Name:
3-Acetyl-2-benzothiazolone
CAS Number:
51360-57-7
IUPAC Name:
3-acetyl-1,3-benzothiazol-2-one
InChI:
InChI=1S/C9H7NO2S/c1-6(11)10-7-4-2-3-5-8(7)13-9(10)12/h2-5H,1H3
InChI Key:
PRMLFIZLUYYHCS-UHFFFAOYSA-N
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.22g/mol
Monoisotopic Mass:
193.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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