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99902-70-2 | 6-(4-CHLOROPHENOXY)NICOTINONITRILE
CAS No: 99902-70-2 Catalog No: AG003VUS MDL No:MFCD00221203
Product Description
Catalog Number:
AG003VUS
Chemical Name:
6-(4-CHLOROPHENOXY)NICOTINONITRILE
CAS Number:
99902-70-2
Molecular Formula:
C12H7ClN2O
Molecular Weight:
230.6498
MDL Number:
MFCD00221203
IUPAC Name:
6-(4-chlorophenoxy)pyridine-3-carbonitrile
InChI:
InChI=1S/C12H7ClN2O/c13-10-2-4-11(5-3-10)16-12-6-1-9(7-14)8-15-12/h1-6,8H
InChI Key:
DAHIOIPBXNVSIW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)Oc1ccc(cc1)Cl
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.025g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.651g/mol
Monoisotopic Mass:
230.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Antipicornavirus activity of substituted phenoxybenzenes and phenoxypyridines. | Journal of medicinal chemistry 19860301 |
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