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19842-76-3 | Benzaldehyde, 2,3,5,6-tetrafluoro-
CAS No: 19842-76-3 Catalog No: AG002BIN MDL No:MFCD00167387
Product Description
Catalog Number:
AG002BIN
Chemical Name:
Benzaldehyde, 2,3,5,6-tetrafluoro-
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 |
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