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Home > Aldehydes > 1260759-93-0
1260759-93-0 | Benzeneacetaldehyde, 4-fluoro-3-(trifluoromethyl)-
CAS No: 1260759-93-0 Catalog No: AG000R4D MDL No:
Product Description
Catalog Number:
AG000R4D
Chemical Name:
Benzeneacetaldehyde, 4-fluoro-3-(trifluoromethyl)-
CAS Number:
1260759-93-0
Molecular Formula:
C9H6F4O
Molecular Weight:
206.1370
IUPAC Name:
2-[4-fluoro-3-(trifluoromethyl)phenyl]acetaldehyde
InChI:
InChI=1S/C9H6F4O/c10-8-2-1-6(3-4-14)5-7(8)9(11,12)13/h1-2,4-5H,3H2
InChI Key:
QOOYHOHPLWWYNX-UHFFFAOYSA-N
SMILES:
O=CCc1ccc(c(c1)C(F)(F)F)F
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.14g/mol
Monoisotopic Mass:
206.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and structure-activity relationships of 3H-quinazolin-4-ones and 3H-pyrido[2,3-d]pyrimidin-4-ones as CXCR3 receptor antagonists. | Archiv der Pharmazie 20070601 |
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