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58835-79-3 | 4-(pyridin-3-yloxy)benzonitrile
CAS No: 58835-79-3 Catalog No: AG01A7FX MDL No:MFCD11178092
Product Description
Catalog Number:
AG01A7FX
Chemical Name:
4-(pyridin-3-yloxy)benzonitrile
CAS Number:
58835-79-3
Molecular Formula:
C12H8N2O
Molecular Weight:
196.2047
MDL Number:
MFCD11178092
IUPAC Name:
4-pyridin-3-yloxybenzonitrile
InChI:
InChI=1S/C12H8N2O/c13-8-10-3-5-11(6-4-10)15-12-2-1-7-14-9-12/h1-7,9H
InChI Key:
AIFAURQOXGQJRN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Oc1cccnc1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.209g/mol
Monoisotopic Mass:
196.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| New aromatase inhibitors from the 3-pyridyl arylether and 1-aryl pyrrolo[2,3-c]pyridine series. | Bioorganic & medicinal chemistry letters 20120301 |
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