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II-19,BRN 1078628,o-(2-Oxazolo(5,4-b)pyridinyl)benzonitrile,LS-38770,B

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摘 要:II-19,BRN 1078628,o-(2-Oxazolo(5,4-b)pyridinyl)benzonitrile,LS-38770,BENZONITRILE, o-(2-OXAZOLO(5,4-b)PYRIDINYL)-,52333-97-8, 2-([1,3]oxazolo[5,4-b]pyridin-2-yl)benzonitrile,Canonical SMILES: C1=CC=C(C(=C1)C#N)C2=NC3=C(O2)N=CC=C3,InChI: InChI=1/C13H7
[Synonyms]
II-19
BRN 1078628
o-(2-Oxazolo(5,4-b)pyridinyl)benzonitrile
LS-38770
BENZONITRILE, o-(2-OXAZOLO(5,4-b)PYRIDINYL)-
52333-97-8

[Structure]
II-19,BRN 1078628,o-(2-Oxazolo(5,4-b)pyridinyl)benzonitrile,LS-38770,B

[ Properties Computed from Structure]
Molecular Weight221.21418 [g/mol]
Molecular FormulaC13H7N3O
XLogP2.4
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count1
Exact Mass221.058912
MonoIsotopic Mass221.058912
Topological Polar Surface Area62.7
Heavy Atom Count17
Formal Charge0
Complexity324
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-([1,3]oxazolo[5,4-b]pyridin-2-yl)benzonitrile
Canonical SMILES: C1=CC=C(C(=C1)C#N)C2=NC3=C(O2)N=CC=C3
InChI: InChI=1/C13H7N3O/c14-8-9-4-1-2-5-10(9)12-16-11-6-3-7-15-13(11)17-12/h1-
7H

 
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