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70448-26-9 | Benzothiazole, 3-acetyl-2,3-dihydro-2-methyl-, 1-oxide
CAS No: 70448-26-9 Catalog No: AG005UN3 MDL No:
Product Description
Catalog Number:
AG005UN3
Chemical Name:
Benzothiazole, 3-acetyl-2,3-dihydro-2-methyl-, 1-oxide
CAS Number:
70448-26-9
Molecular Formula:
C10H11NO2S
Molecular Weight:
209.2648
IUPAC Name:
1-(2-methyl-1-oxo-2H-1,3-benzothiazol-3-yl)ethanone
InChI:
InChI=1S/C10H11NO2S/c1-7(12)11-8(2)14(13)10-6-4-3-5-9(10)11/h3-6,8H,1-2H3
InChI Key:
VTURWSBVLBBXES-UHFFFAOYSA-N
SMILES:
CC(=O)N1C(C)S(=O)c2c1cccc2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.263g/mol
Monoisotopic Mass:
209.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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