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14070-51-0 | 1,2-Benzisothiazol-3(2H)-one, 2-chloro-, 1,1-dioxide
CAS No: 14070-51-0 Catalog No: AG001CQ1 MDL No:MFCD00274277
Product Description
Catalog Number:
AG001CQ1
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 2-chloro-, 1,1-dioxide
CAS Number:
14070-51-0
Molecular Formula:
C7H4ClNO3S
Molecular Weight:
217.6296
MDL Number:
MFCD00274277
IUPAC Name:
2-chloro-1,1-dioxo-1,2-benzothiazol-3-one
InChI:
InChI=1S/C7H4ClNO3S/c8-9-7(10)5-3-1-2-4-6(5)13(9,11)12/h1-4H
InChI Key:
VKWMGUNWDFIWNW-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2S(=O)(=O)N1Cl
UNII:
G35NK0CTFF
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.96g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.623g/mol
Monoisotopic Mass:
216.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Ritter-type reactions of N-chlorosaccharin: a method for the electrophilic diamination of alkenes. | Organic letters 20030904 |
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