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22952-20-1

22952-20-1 | 1,2-Benzisothiazol-3(2H)-one, 5-nitro-, 1,1-dioxide

CAS No: 22952-20-1 Catalog No: AG002LOE MDL No:MFCD09842513

Product Description

Catalog Number:
AG002LOE
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 5-nitro-, 1,1-dioxide
CAS Number:
22952-20-1
Molecular Formula:
C7H4N2O5S
Molecular Weight:
228.1821
MDL Number:
MFCD09842513
IUPAC Name:
5-nitro-1,1-dioxo-1,2-benzothiazol-3-one
InChI:
InChI=1S/C7H4N2O5S/c10-7-5-3-4(9(11)12)1-2-6(5)15(13,14)8-7/h1-3H,(H,8,10)
InChI Key:
KABUZPWVPGUDIR-UHFFFAOYSA-N
SMILES:
O=C1NS(=O)(=O)c2c1cc(cc2)[N+](=O)[O-]
NSC Number:
362813

Properties

Complexity:
406  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.984g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.178g/mol
Monoisotopic Mass:
227.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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