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26029-68-5 | Benzonitrile, 4-[2-(4-hydroxyphenyl)diazenyl]-
CAS No: 26029-68-5 Catalog No: AG002RG1 MDL No:
Product Description
Catalog Number:
AG002RG1
Chemical Name:
Benzonitrile, 4-[2-(4-hydroxyphenyl)diazenyl]-
CAS Number:
26029-68-5
Molecular Formula:
C13H9N3O
Molecular Weight:
223.2301
IUPAC Name:
4-[(4-hydroxyphenyl)diazenyl]benzonitrile
InChI:
InChI=1S/C13H9N3O/c14-9-10-1-3-11(4-2-10)15-16-12-5-7-13(17)8-6-12/h1-8,17H
InChI Key:
HKRIZVYPOGYCLC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)N=Nc1ccc(cc1)O
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.235g/mol
Monoisotopic Mass:
223.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| 4-(4-Hydroxy-phenyl-diazen-yl)-benzonitrile. | Acta crystallographica. Section E, Structure reports online 20080301 |
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