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Home Aldehydes 4-(Trifluoromethoxy)benzaldehyde

4-(Trifluoromethoxy)benzaldehyde

CAS No.:
659-28-9
Catalog Number:
AG00345M
Molecular Formula:
C8H5F3O2
Molecular Weight:
190.1193
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$44
- +
100g
95%
In Stock USA
United States
$150
- +
500g
95%
In Stock USA
United States
$675
- +
Product Description
Catalog Number:
AG00345M
Chemical Name:
4-(Trifluoromethoxy)benzaldehyde
CAS Number:
659-28-9
Molecular Formula:
C8H5F3O2
Molecular Weight:
190.1193
MDL Number:
MFCD00041530
IUPAC Name:
4-(trifluoromethoxy)benzaldehyde
InChI:
InChI=1S/C8H5F3O2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-5H
InChI Key:
XQNVDQZWOBPLQZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OC(F)(F)F
EC Number:
211-531-4
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.024g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.121g/mol
Monoisotopic Mass:
190.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
(E)-2-[4-(Trifluoro-meth-oxy)benzyl-idene]indan-1-one. Acta crystallographica. Section E, Structure reports online 20110801
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
Properties