Home Other Building Blocks 3,5-bis(2,2,2-trifluoroethoxy)benzoic acid

3,5-bis(2,2,2-trifluoroethoxy)benzoic acid

CAS No.:
35480-55-8
Catalog Number:
AG019XAE
Molecular Formula:
C11H8F6O4
Molecular Weight:
318.1692
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Product Description
Catalog Number:
AG019XAE
Chemical Name:
3,5-bis(2,2,2-trifluoroethoxy)benzoic acid
CAS Number:
35480-55-8
Molecular Formula:
C11H8F6O4
Molecular Weight:
318.1692
MDL Number:
MFCD13196074
IUPAC Name:
3,5-bis(2,2,2-trifluoroethoxy)benzoic acid
InChI:
InChI=1S/C11H8F6O4/c12-10(13,14)4-20-7-1-6(9(18)19)2-8(3-7)21-5-11(15,16)17/h1-3H,4-5H2,(H,18,19)
InChI Key:
TZVBKGSAPRNFGX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(OCC(F)(F)F)cc(c1)OCC(F)(F)F
Properties
Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.033g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
318.171g/mol
Monoisotopic Mass:
318.033g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties