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6508-04-9 | 4-CYANOPHENYL ETHER
CAS No: 6508-04-9 Catalog No: AG003L9E MDL No:
Product Description
Catalog Number:
AG003L9E
Chemical Name:
4-CYANOPHENYL ETHER
CAS Number:
6508-04-9
IUPAC Name:
4-(4-cyanophenoxy)benzonitrile
InChI:
InChI=1S/C14H8N2O/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-8H
InChI Key:
RSAUOQFEFINEDM-UHFFFAOYSA-N
EC Number:
229-399-1
NSC Number:
87869
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.231g/mol
Monoisotopic Mass:
220.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Flash photolytic generation of o-quinone alpha-phenylmethide and o-quinone alpha-(p-anisyl)methide in aqueous solution and investigation of their reactions in that medium. Saturation of acid-catalyzed hydration. | Journal of the American Chemical Society 20020130 |
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