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82674-09-7 | 5-NITRO-2-(2-(TRIFLUOROMETHYL)PHENOXY)BENZONITRILE
CAS No: 82674-09-7 Catalog No: AG005C98 MDL No:
Product Description
Catalog Number:
AG005C98
Chemical Name:
5-NITRO-2-(2-(TRIFLUOROMETHYL)PHENOXY)BENZONITRILE
CAS Number:
82674-09-7
Molecular Formula:
C14H7F3N2O3
Molecular Weight:
308.2122
IUPAC Name:
5-nitro-2-[2-(trifluoromethyl)phenoxy]benzonitrile
InChI:
InChI=1S/C14H7F3N2O3/c15-14(16,17)11-3-1-2-4-13(11)22-12-6-5-10(19(20)21)7-9(12)8-18/h1-7H
InChI Key:
WQUYMOGVKUGHET-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1Oc1ccccc1C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.041g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.216g/mol
Monoisotopic Mass:
308.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Antipicornavirus activity of substituted phenoxybenzenes and phenoxypyridines. | Journal of medicinal chemistry 19860301 |
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