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90321-99-6 | 1,2-Benzisothiazol-3(2H)-one, 4-methyl-, 1,1-dioxide
CAS No: 90321-99-6 Catalog No: AG006FOE MDL No:
Product Description
Catalog Number:
AG006FOE
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 4-methyl-, 1,1-dioxide
CAS Number:
90321-99-6
Molecular Formula:
C8H7NO3S
Molecular Weight:
197.2111
IUPAC Name:
4-methyl-1,1-dioxo-1,2-benzothiazol-3-one
InChI:
InChI=1S/C8H7NO3S/c1-5-3-2-4-6-7(5)8(10)9-13(6,11)12/h2-4H,1H3,(H,9,10)
InChI Key:
LWVDCUCGKCOXLT-UHFFFAOYSA-N
SMILES:
O=C1NS(=O)(=O)c2c1c(C)ccc2
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.208g/mol
Monoisotopic Mass:
197.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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