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Home Aldehydes 3-Fluorobenzaldehyde

3-Fluorobenzaldehyde

CAS No.:
456-48-4
Catalog Number:
AG0033PH
Molecular Formula:
C7H5FO
Molecular Weight:
124.1124
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$15
- +
100g
95%
In Stock USA
United States
$50
- +
500g
95%
In Stock USA
United States
$188
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Product Description
Catalog Number:
AG0033PH
Chemical Name:
3-Fluorobenzaldehyde
CAS Number:
456-48-4
Molecular Formula:
C7H5FO
Molecular Weight:
124.1124
MDL Number:
MFCD00003348
IUPAC Name:
3-fluorobenzaldehyde
InChI:
InChI=1S/C7H5FO/c8-7-3-1-2-6(4-7)5-9/h1-5H
InChI Key:
PIKNVEVCWAAOMJ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)F
EC Number:
207-266-9
NSC Number:
66830
Properties
Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.032g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.114g/mol
Monoisotopic Mass:
124.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
(E)-N'-(3-Fluoro-benzyl-idene)-3-nitro-benzohydrazide. Acta crystallographica. Section E, Structure reports online 20120301
1,1-Dibenzyl-3-(4-fluoro-benzo-yl)thio-urea. Acta crystallographica. Section E, Structure reports online 20110801
4-(3-Fluoro-phen-yl)-6-hy-droxy-5-(thio-phen-2-ylcarbon-yl)-6-trifluoro-methyl-1,3-diazinan-2-one. Acta crystallographica. Section E, Structure reports online 20110401
Total synthesis and analgesic activity of 6-fluoroindan-1-acetic acid and its 3-oxo derivative. Medicinal chemistry (Shariqah (United Arab Emirates)) 20090901
Efficient hydrogenation of benzaldehydes over mesopolymer-entrapped Pt nanoparticles in water. Chemistry, an Asian journal 20090504
Asymmetric Morita-Baylis-Hillman reaction of arylaldehydes with 2-cyclohexen-1-one catalyzed by chiral bis(thio)urea and DABCO. Organic letters 20080320
Inhibitory effects of fluorobenzaldehydes on the activity of mushroom tyrosinase. Journal of enzyme inhibition and medicinal chemistry 20060801
Stability analysis of the two rotational isomers of meta-fluorobenzaldehyde in the S0, S1, and S2 electronic states. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20040601
Properties