Home Other Building Blocks 3-(3,5-Difluorophenyl)benzoic acid

3-(3,5-Difluorophenyl)benzoic acid

CAS No.:
177734-83-7
Catalog Number:
AG0025ID
Molecular Formula:
C13H8F2O2
Molecular Weight:
234.1982
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$205
- +
1g
97%
1 week
United States
$453
- +
5g
97%
1 week
United States
$1285
- +
Product Description
Catalog Number:
AG0025ID
Chemical Name:
3-(3,5-Difluorophenyl)benzoic acid
CAS Number:
177734-83-7
Molecular Formula:
C13H8F2O2
Molecular Weight:
234.1982
MDL Number:
MFCD03839970
IUPAC Name:
3-(3,5-difluorophenyl)benzoic acid
InChI:
InChI=1S/C13H8F2O2/c14-11-5-10(6-12(15)7-11)8-2-1-3-9(4-8)13(16)17/h1-7H,(H,16,17)
InChI Key:
DVVDXEXZIAKVDO-UHFFFAOYSA-N
SMILES:
Fc1cc(F)cc(c1)c1cccc(c1)C(=O)O
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.049g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.202g/mol
Monoisotopic Mass:
234.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Diflunisal analogues stabilize the native state of transthyretin. Potent inhibition of amyloidogenesis. Journal of medicinal chemistry 20040115
Properties