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78471-94-0 | 6-(3-oxo-1,2-benzisothiazol-2(3H)-yl)-3-Pyridinecarbonitrile
CAS No: 78471-94-0 Catalog No: AG00G8HX MDL No:
Product Description
Catalog Number:
AG00G8HX
Chemical Name:
6-(3-oxo-1,2-benzisothiazol-2(3H)-yl)-3-Pyridinecarbonitrile
CAS Number:
78471-94-0
IUPAC Name:
6-(3-oxo-1,2-benzothiazol-2-yl)pyridine-3-carbonitrile
InChI:
InChI=1S/C13H7N3OS/c14-7-9-5-6-12(15-8-9)16-13(17)10-3-1-2-4-11(10)18-16/h1-6,8H
InChI Key:
WCHNSIIZTJQXMZ-UHFFFAOYSA-N
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.279g/mol
Monoisotopic Mass:
253.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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