3-Pyridinecarbonitrile, 6-phenoxy-


Chemical Name: 3-Pyridinecarbonitrile, 6-phenoxy-
CAS Number: 99902-72-4
Product Number: AG003VUR(AGN-PC-0JS6I5)
Synonyms:
MDL No: MFCD00205454
Molecular Formula: C12H8N2O
Molecular Weight: 196.2047

Identification/Properties


Properties
BP:
340.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
196.209g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
196.064g/mol
Monoisotopic Mass:
196.064g/mol
Topological Polar Surface Area:
45.9A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
239
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



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