| CAS Number | 35480-55-8 |
| Catalog Number | AG019XAE(AGN-PC-07HCNW) |
| Chemical Name | 3,5-Bis(2,2,2-trifluoroethoxy)benzoic acid |
| 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 |
| MDL Number | MFCD13196074 |
| Molecular Formula | C11H8F6O4 |
| Molecular Weight | 318.1692 |
| SMILES | OC(C1=CC(OCC(F)(F)F)=CC(OCC(F)(F)F)=C1)=O |
| Synonyms | 3,5-bis(2,2,2-trifluoroethoxy)benzoic acid,
35480-55-8,
SCHEMBL977465,
AC1Q733H,
CTK7I7243,
ZINC38342326,
AKOS034635168,
MCULE-7912792561,
NE19967,
EN300-54488,
Z857666944,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number