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78471-66-6 | 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)benzonitrile
CAS No: 78471-66-6 Catalog No: AG00G8HS MDL No:
Product Description
Catalog Number:
AG00G8HS
Chemical Name:
2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)benzonitrile
CAS Number:
78471-66-6
IUPAC Name:
2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)benzonitrile
InChI:
InChI=1S/C14H8N2O3S/c15-9-10-5-1-3-7-12(10)16-14(17)11-6-2-4-8-13(11)20(16,18)19/h1-8H
InChI Key:
ZWLCWNQRFUKXAJ-UHFFFAOYSA-N
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.026g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.289g/mol
Monoisotopic Mass:
284.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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