Home Other Building Blocks 3-Fluoro-5-(trifluoromethyl)benzoic acid

3-Fluoro-5-(trifluoromethyl)benzoic acid

CAS No.:
161622-05-5
Catalog Number:
AG001VRI
Molecular Formula:
C8H4F4O2
Molecular Weight:
208.1098
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$25
- +
25g
97%
In Stock USA
United States
$75
- +
100g
98%
In Stock USA
United States
$214
- +
Product Description
Catalog Number:
AG001VRI
Chemical Name:
3-Fluoro-5-(trifluoromethyl)benzoic acid
CAS Number:
161622-05-5
Molecular Formula:
C8H4F4O2
Molecular Weight:
208.1098
MDL Number:
MFCD00061293
IUPAC Name:
3-fluoro-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H4F4O2/c9-6-2-4(7(13)14)1-5(3-6)8(10,11)12/h1-3H,(H,13,14)
InChI Key:
NSGKIIGVPBTOBF-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)C(F)(F)F)C(=O)O
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.015g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.112g/mol
Monoisotopic Mass:
208.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties