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20044-78-4 | 1,2-Benzisothiazole,2,3-dihydro-2-(2-propyn-1-yl)-,1,1-dioxide
CAS No: 20044-78-4 Catalog No: AG00I3QJ MDL No:
Product Description
Catalog Number:
AG00I3QJ
Chemical Name:
1,2-Benzisothiazole,2,3-dihydro-2-(2-propyn-1-yl)-,1,1-dioxide
CAS Number:
20044-78-4
IUPAC Name:
2-prop-2-ynyl-3H-1,2-benzothiazole 1,1-dioxide
InChI:
InChI=1S/C10H9NO2S/c1-2-7-11-8-9-5-3-4-6-10(9)14(11,12)13/h1,3-6H,7-8H2
InChI Key:
VFSSSZORCQBBKC-UHFFFAOYSA-N
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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