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177734-83-7 | [1,1'-Biphenyl]-3-carboxylic acid, 3',5'-difluoro-
CAS No: 177734-83-7 Catalog No: AG0025ID MDL No:
Product Description
Catalog Number:
AG0025ID
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3',5'-difluoro-
CAS Number:
177734-83-7
Molecular Formula:
C13H8F2O2
Molecular Weight:
234.1982
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 |
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