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1009-35-4 | Benzonitrile, 4-fluoro-3-nitro-
CAS No: 1009-35-4 Catalog No: AG00034S MDL No:MFCD01632197
Product Description
Catalog Number:
AG00034S
Chemical Name:
Benzonitrile, 4-fluoro-3-nitro-
CAS Number:
1009-35-4
Molecular Formula:
C7H3FN2O2
Molecular Weight:
166.1093
MDL Number:
MFCD01632197
IUPAC Name:
4-fluoro-3-nitrobenzonitrile
InChI:
InChI=1S/C7H3FN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H
InChI Key:
LKOWKPGBAZVHOF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])F
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.018g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.111g/mol
Monoisotopic Mass:
166.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Palladium(0)-catalyzed amination, Stille coupling, and Suzuki coupling of electron-deficient aryl fluorides. | Journal of the American Chemical Society 20030219 |
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