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Home Other Building Blocks 3-(Trifluoromethyl)benzoic acid

3-(Trifluoromethyl)benzoic acid

CAS No.:
454-92-2
Catalog Number:
AG0033HA
Molecular Formula:
C8H5F3O2
Molecular Weight:
190.1193
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
Product Description
Catalog Number:
AG0033HA
Chemical Name:
3-(Trifluoromethyl)benzoic acid
CAS Number:
454-92-2
Molecular Formula:
C8H5F3O2
Molecular Weight:
190.1193
MDL Number:
MFCD00002519
IUPAC Name:
3-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChI Key:
FQXQBFUUVCDIRK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)C(F)(F)F
EC Number:
207-230-2
UNII:
930H336M90
NSC Number:
43025
Properties
Complexity:
200  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
190.121g/mol
Monoisotopic Mass:
190.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
2-(4-Fluoro-phen-yl)-2-oxoethyl 3-(trifluoro-meth-yl)benzoate. Acta crystallographica. Section E, Structure reports online 20111101
2-(4-Chloro-phen-yl)-2-oxoethyl 3-(trifluoro-meth-yl)benzoate. Acta crystallographica. Section E, Structure reports online 20110701
Insulin allosteric behavior: detection, identification, and quantification of allosteric states via 19F NMR. Biochemistry 20050531
Polymeric drugs with prolonged sustained delivery of specific anti-aggregant agents for platelets: kinetic analysis of the release mechanism. Journal of biomaterials science. Polymer edition 20040101
Photoinduced electron transfer and chemical alpha-deoxygenation of D-galactono-1,4-lactone. Synthesis of 2-deoxy-D-lyxo-hexofuranosides. Carbohydrate research 20021119
Properties