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15246-95-4 | 1,2-Benzisothiazol-3(2H)-one, 2-(2-oxo-2-phenylethyl)-, 1,1-dioxide
CAS No: 15246-95-4 Catalog No: AG007JK1 MDL No:MFCD00550015
Product Description
Catalog Number:
AG007JK1
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 2-(2-oxo-2-phenylethyl)-, 1,1-dioxide
CAS Number:
15246-95-4
Molecular Formula:
C15H11NO4S
Molecular Weight:
301.3171
MDL Number:
MFCD00550015
IUPAC Name:
1,1-dioxo-2-phenacyl-1,2-benzothiazol-3-one
InChI:
InChI=1S/C15H11NO4S/c17-13(11-6-2-1-3-7-11)10-16-15(18)12-8-4-5-9-14(12)21(16,19)20/h1-9H,10H2
InChI Key:
QJWQWSQZQFNGQF-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CN1C(=O)c2c(S1(=O)=O)cccc2
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.041g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.316g/mol
Monoisotopic Mass:
301.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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