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Home Aldehydes 2,4-Bis(trifluoromethyl)benzaldehyde

2,4-Bis(trifluoromethyl)benzaldehyde

CAS No.:
59664-42-5
Catalog Number:
AG003FOT
Molecular Formula:
C9H4F6O
Molecular Weight:
242.1179
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$24
- +
5g
96%
In Stock USA
United States
$74
- +
10g
96%
In Stock USA
United States
$124
- +
25g
96%
In Stock USA
United States
$250
- +
100g
96%
In Stock USA
United States
$800
- +
Product Description
Catalog Number:
AG003FOT
Chemical Name:
2,4-Bis(trifluoromethyl)benzaldehyde
CAS Number:
59664-42-5
Molecular Formula:
C9H4F6O
Molecular Weight:
242.1179
MDL Number:
MFCD00083535
IUPAC Name:
2,4-bis(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C9H4F6O/c10-8(11,12)6-2-1-5(4-16)7(3-6)9(13,14)15/h1-4H
InChI Key:
DLRCWXOCZIUZBS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.017g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.12g/mol
Monoisotopic Mass:
242.017g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Design, synthesis, and structure-activity relationship exploration of 1-substituted 4-aroyl-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one analogues as inhibitors of the annexin A2-S100A10 protein interaction. Journal of medicinal chemistry 20110414
Bis{(E)-N'-[2,4-bis(trifluoro-meth-yl)benzyl-idene]isonicotinohydrazide} monohydrate. Acta crystallographica. Section E, Structure reports online 20100801
Properties