Home Other Building Blocks 4-Fluoro-3-(trifluoromethyl)cinnamic acid

4-Fluoro-3-(trifluoromethyl)cinnamic acid

CAS No.:
239463-90-2
Catalog Number:
AG003LDY
Molecular Formula:
C10H6F4O2
Molecular Weight:
234.1471
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$67
- +
Product Description
Catalog Number:
AG003LDY
Chemical Name:
4-Fluoro-3-(trifluoromethyl)cinnamic acid
CAS Number:
239463-90-2
Molecular Formula:
C10H6F4O2
Molecular Weight:
234.1471
MDL Number:
MFCD00236298
IUPAC Name:
(E)-3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C10H6F4O2/c11-8-3-1-6(2-4-9(15)16)5-7(8)10(12,13)14/h1-5H,(H,15,16)/b4-2+
InChI Key:
DESJUJUEXMNIGB-DUXPYHPUSA-N
SMILES:
OC(=O)/C=C/c1ccc(c(c1)C(F)(F)F)F
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
234.03g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.15g/mol
Monoisotopic Mass:
234.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties