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Home > Nitro Compounds > 22952-24-5
22952-24-5 | 1,2-Benzisothiazol-3(2H)-one, 6-nitro-, 1,1-dioxide
CAS No: 22952-24-5 Catalog No: AG002LOD MDL No:MFCD00110677
Product Description
Catalog Number:
AG002LOD
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 6-nitro-, 1,1-dioxide
CAS Number:
22952-24-5
Molecular Formula:
C7H4N2O5S
Molecular Weight:
228.1821
MDL Number:
MFCD00110677
IUPAC Name:
6-nitro-1,1-dioxo-1,2-benzothiazol-3-one
InChI:
InChI=1S/C7H4N2O5S/c10-7-5-2-1-4(9(11)12)3-6(5)15(13,14)8-7/h1-3H,(H,8,10)
InChI Key:
HZZFBUZSKAVIOV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)S(=O)(=O)NC2=O
UNII:
8E9B47A8XW
NSC Number:
358278
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
Literature
| Title | Journal |
|---|---|
| Identification of ligands for two human bitter T2R receptors. | Chemical senses 20040901 |
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