| CAS Number | 79865-59-1 |
| Catalog Number | AG019WYF |
| Chemical Name | 4-(1,1,2,2,2-Pentafluoroethoxy)benzoic acid |
| IUPAC Name | 4-(1,1,2,2,2-pentafluoroethoxy)benzoic acid |
| InChI | InChI=1S/C9H5F5O3/c10-8(11,12)9(13,14)17-6-3-1-5(2-4-6)7(15)16/h1-4H,(H,15,16) |
| InChI Key | SUTOUQPTCJCIKM-UHFFFAOYSA-N |
| MDL Number | MFCD11858215 |
| Molecular Formula | C9H5F5O3 |
| Molecular Weight | 256.1262 |
| SMILES | OC(C1=CC=C(OC(C(F)(F)F)(F)F)C=C1)=O |
| Synonyms | 4-(1,1,2,2,2-pentafluoroethoxy)benzoic acid,
4-(pentafluoroethoxy)benzoic acid,
79865-59-1,
AC1Q73FC,
p-pentafluoroethoxy benzoic acid,
SCHEMBL2715757,
CTK7I8066,
p-(Pentafluoroethoxy)benzoic acid,
SUTOUQPTCJCIKM-UHFFFAOYSA-N,
ZINC32625268,
AKOS034481883,
MCULE-3502273167,
NE37799,
EN300-53512,
Z600584260,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.128g/mol |
| Monoisotopic Mass | 256.016g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number