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Home Aldehydes 3-(Trifluoromethyl)benzaldehyde

3-(Trifluoromethyl)benzaldehyde

CAS No.:
454-89-7
Catalog Number:
AG0033H8
Molecular Formula:
C8H5F3O
Molecular Weight:
174.1199
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$14
- +
500g
97%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG0033H8
Chemical Name:
3-(Trifluoromethyl)benzaldehyde
CAS Number:
454-89-7
Molecular Formula:
C8H5F3O
Molecular Weight:
174.1199
MDL Number:
MFCD00003373
IUPAC Name:
3-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H5F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-5H
InChI Key:
NMTUHPSKJJYGML-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)C(F)(F)F
EC Number:
207-228-1
UNII:
AT7H4H5U3E
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.029g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.122g/mol
Monoisotopic Mass:
174.029g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Synthesis and cytotoxicity testing of new amido-substituted triazolopyrrolo[2,1-c][1,4]benzodiazepine (PBDT) derivatives. Molecules (Basel, Switzerland) 20120725
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