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42564-51-2 | 4-Fluoro-3-nitrobenzaldehyde
CAS No: 42564-51-2 Catalog No: AG0071TB MDL No:MFCD01861388
Product Description
Catalog Number:
AG0071TB
Chemical Name:
4-Fluoro-3-nitrobenzaldehyde
CAS Number:
42564-51-2
Molecular Formula:
C7H4FNO3
Molecular Weight:
169.1100
MDL Number:
MFCD01861388
IUPAC Name:
4-fluoro-3-nitrobenzaldehyde
InChI:
InChI=1S/C7H4FNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H
InChI Key:
ILKWFRCNNILIJW-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)[N+](=O)[O-])F
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.018g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.111g/mol
Monoisotopic Mass:
169.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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