sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 3,5-Bis(trifluoromethyl)cinnamic acid

3,5-Bis(trifluoromethyl)cinnamic acid

CAS No.:
155814-20-3
Catalog Number:
AG001O85
Molecular Formula:
C11H6F6O2
Molecular Weight:
284.1546
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$44
- +
25g
95%
In Stock USA
United States
$113
- +
100g
95%
In Stock USA
United States
$339
- +
Product Description
Catalog Number:
AG001O85
Chemical Name:
3,5-Bis(trifluoromethyl)cinnamic acid
CAS Number:
155814-20-3
Molecular Formula:
C11H6F6O2
Molecular Weight:
284.1546
MDL Number:
MFCD00799487
IUPAC Name:
(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C11H6F6O2/c12-10(13,14)7-3-6(1-2-9(18)19)4-8(5-7)11(15,16)17/h1-5H,(H,18,19)/b2-1+
InChI Key:
IZKCKOPHMWHBHR-OWOJBTEDSA-N
SMILES:
OC(=O)/C=C/c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
284.027g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
284.157g/mol
Monoisotopic Mass:
284.027g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
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