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Home Aldehydes 2,3,5,6-Tetrafluorobenzaldehyde

2,3,5,6-Tetrafluorobenzaldehyde

CAS No.:
19842-76-3
Catalog Number:
AG002BIN
Molecular Formula:
C7H2F4O
Molecular Weight:
178.0838
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$25
- +
5g
95%
In Stock USA
United States
$75
- +
25g
95%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG002BIN
Chemical Name:
2,3,5,6-Tetrafluorobenzaldehyde
CAS Number:
19842-76-3
Molecular Formula:
C7H2F4O
Molecular Weight:
178.0838
MDL Number:
MFCD00167387
IUPAC Name:
2,3,5,6-tetrafluorobenzaldehyde
InChI:
InChI=1S/C7H2F4O/c8-4-1-5(9)7(11)3(2-12)6(4)10/h1-2H
InChI Key:
YIRYOMXPMOLQSO-UHFFFAOYSA-N
SMILES:
O=Cc1c(F)c(F)cc(c1F)F
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.004g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.086g/mol
Monoisotopic Mass:
178.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Carbonic anhydrase inhibitors: Inhibition of the tumor-associated isozymes IX and XII with polyfluorinated aromatic/heterocyclic sulfonamides. Journal of enzyme inhibition and medicinal chemistry 20050601
Carbonic anhydrase inhibitors: synthesis and topical intraocular pressure lowering effects of fluorine-containing inhibitors devoid of enhanced reactivity. Journal of medicinal chemistry 20040520
Carbonic anhydrase inhibitors: inhibition of the tumor-associated isozyme IX with fluorine-containing sulfonamides. The first subnanomolar CA IX inhibitor discovered. Bioorganic & medicinal chemistry letters 20040503
Properties