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14599-38-3 | 1,2-Benzisothiazol-3(2H)-one, 1-oxide
CAS No: 14599-38-3 Catalog No: AG001DLK MDL No:MFCD00129984
Product Description
Catalog Number:
AG001DLK
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 1-oxide
CAS Number:
14599-38-3
Molecular Formula:
C7H5NO2S
Molecular Weight:
167.1851
MDL Number:
MFCD00129984
IUPAC Name:
1-oxo-1,2-benzothiazol-3-one
InChI:
InChI=1S/C7H5NO2S/c9-7-5-3-1-2-4-6(5)11(10)8-7/h1-4H,(H,8,9)
InChI Key:
MWXVFRCOTFIJSP-UHFFFAOYSA-N
SMILES:
O=s1[nH]c(=O)c2c1cccc2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.004g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.182g/mol
Monoisotopic Mass:
167.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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