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172886-26-9 | 2-(1,3-Benzoxazol-2-ylthio)nicotinonitrile
CAS No: 172886-26-9 Catalog No: AG00HZLI MDL No:
Product Description
Catalog Number:
AG00HZLI
Chemical Name:
2-(1,3-Benzoxazol-2-ylthio)nicotinonitrile
CAS Number:
172886-26-9
IUPAC Name:
2-(1,3-benzoxazol-2-ylsulfanyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C13H7N3OS/c14-8-9-4-3-7-15-12(9)18-13-16-10-5-1-2-6-11(10)17-13/h1-7H
InChI Key:
RVSAQNHUBOSAOG-UHFFFAOYSA-N
Properties
Complexity:
342
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:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.279g/mol
Monoisotopic Mass:
253.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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