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111248-89-6 | 2,1-Benzisothiazole, 1,3-dihydro-, 2,2-dioxide
CAS No: 111248-89-6 Catalog No: AG007TBZ MDL No:MFCD11043148
Product Description
Catalog Number:
AG007TBZ
Chemical Name:
2,1-Benzisothiazole, 1,3-dihydro-, 2,2-dioxide
CAS Number:
111248-89-6
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
MDL Number:
MFCD11043148
IUPAC Name:
1,3-dihydro-2,1-benzothiazole 2,2-dioxide
InChI:
InChI=1S/C7H7NO2S/c9-11(10)5-6-3-1-2-4-7(6)8-11/h1-4,8H,5H2
InChI Key:
OJWMDOIYUCEXNF-UHFFFAOYSA-N
SMILES:
O=S1(=O)Cc2c(N1)cccc2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.198g/mol
Monoisotopic Mass:
169.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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