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78471-89-3 | 3-(3-oxo-1,2-benzisothiazol-2(3H)-yl)benzonitrile
CAS No: 78471-89-3 Catalog No: AG00G8HW MDL No:
Product Description
Catalog Number:
AG00G8HW
Chemical Name:
3-(3-oxo-1,2-benzisothiazol-2(3H)-yl)benzonitrile
CAS Number:
78471-89-3
IUPAC Name:
3-(3-oxo-1,2-benzothiazol-2-yl)benzonitrile
InChI:
InChI=1S/C14H8N2OS/c15-9-10-4-3-5-11(8-10)16-14(17)12-6-1-2-7-13(12)18-16/h1-8H
InChI Key:
RRZOBLUGIVLRRS-UHFFFAOYSA-N
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.036g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.291g/mol
Monoisotopic Mass:
252.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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