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Home Aminos 2-{[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]oxy}acetic acid

2-{[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]oxy}acetic acid

CAS No.:
855991-65-0
Catalog Number:
AG019OD4
Molecular Formula:
C9H8N2O5S
Molecular Weight:
256.2352
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Product Description
Catalog Number:
AG019OD4
Chemical Name:
2-{[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]oxy}acetic acid
CAS Number:
855991-65-0
Molecular Formula:
C9H8N2O5S
Molecular Weight:
256.2352
MDL Number:
MFCD07313020
IUPAC Name:
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]oxyacetic acid
InChI:
InChI=1S/C9H8N2O5S/c12-8(13)5-16-10-9-6-3-1-2-4-7(6)17(14,15)11-9/h1-4H,5H2,(H,10,11)(H,12,13)
InChI Key:
NHCWWINDGLZRJV-UHFFFAOYSA-N
SMILES:
OC(=O)CONC1=NS(=O)(=O)c2c1cccc2
Properties
Complexity:
439  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.015g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
256.232g/mol
Monoisotopic Mass:
256.015g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties