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Home > Pyridines > 338967-28-5
338967-28-5 | 4-({5-[(1E)-(hydroxyimino)methyl]pyridin-2-yl}oxy)benzonitrile
CAS No: 338967-28-5 Catalog No: AG00IUUP MDL No:MFCD00974927
Product Description
Catalog Number:
AG00IUUP
Chemical Name:
4-({5-[(1E)-(hydroxyimino)methyl]pyridin-2-yl}oxy)benzonitrile
CAS Number:
338967-28-5
Molecular Formula:
C13H9N3O2
Molecular Weight:
239.2295
MDL Number:
MFCD00974927
IUPAC Name:
4-[5-(hydroxyiminomethyl)pyridin-2-yl]oxybenzonitrile
InChI:
InChI=1S/C13H9N3O2/c14-7-10-1-4-12(5-2-10)18-13-6-3-11(8-15-13)9-16-17/h1-6,8-9,17H
InChI Key:
ZQLAGKWPMNNNJV-UHFFFAOYSA-N
SMILES:
O/N=C/c1ccc(nc1)Oc1ccc(cc1)C#N
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.234g/mol
Monoisotopic Mass:
239.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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