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68723-65-9 | Benzothiazole, 3-acetyl-2,3-dihydro-2,2-dimethyl-, 1-oxide
CAS No: 68723-65-9 Catalog No: AG0061QO MDL No:
Product Description
Catalog Number:
AG0061QO
Chemical Name:
Benzothiazole, 3-acetyl-2,3-dihydro-2,2-dimethyl-, 1-oxide
CAS Number:
68723-65-9
Molecular Formula:
C11H13NO2S
Molecular Weight:
223.2914
IUPAC Name:
1-(2,2-dimethyl-1-oxo-1,3-benzothiazol-3-yl)ethanone
InChI:
InChI=1S/C11H13NO2S/c1-8(13)12-9-6-4-5-7-10(9)15(14)11(12,2)3/h4-7H,1-3H3
InChI Key:
WYTYUOJYAWPFTR-UHFFFAOYSA-N
SMILES:
CC(=O)N1c2ccccc2S(=O)C1(C)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.29g/mol
Monoisotopic Mass:
223.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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