Home Carboxys [1,1'-Biphenyl]-4,4'-dicarboxylic acid, 2,2'-bis(trifluoromethyl)-

[1,1'-Biphenyl]-4,4'-dicarboxylic acid, 2,2'-bis(trifluoromethyl)-

CAS No.:
89803-71-4
Catalog Number:
AG00398X
Molecular Formula:
C16H8F6O4
Molecular Weight:
378.2227
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$51
- +
250mg
95%
In Stock USA
United States
$95
- +
1g
95%
In Stock USA
United States
$189
- +
Product Description
Catalog Number:
AG00398X
Chemical Name:
[1,1'-Biphenyl]-4,4'-dicarboxylic acid, 2,2'-bis(trifluoromethyl)-
CAS Number:
89803-71-4
Molecular Formula:
C16H8F6O4
Molecular Weight:
378.2227
MDL Number:
MFCD30533922
IUPAC Name:
4-[4-carboxy-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C16H8F6O4/c17-15(18,19)11-5-7(13(23)24)1-3-9(11)10-4-2-8(14(25)26)6-12(10)16(20,21)22/h1-6H,(H,23,24)(H,25,26)
InChI Key:
VOSZLKUKKWRKQZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)C(F)(F)F)c1ccc(cc1C(F)(F)F)C(=O)O
Properties
Complexity:
496  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.033g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
378.226g/mol
Monoisotopic Mass:
378.033g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties