| CAS Number | 240487-99-4 |
| Catalog Number | AG01AJ3R(AGN-PC-0A9ZCV) |
| Chemical Name | Pentafluorophenyl 2-chloroacetate |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl) 2-chloroacetate |
| InChI | InChI=1S/C8H2ClF5O2/c9-1-2(15)16-8-6(13)4(11)3(10)5(12)7(8)14/h1H2 |
| InChI Key | VVKNQIGLUQLDPD-UHFFFAOYSA-N |
| MDL Number | MFCD19686239 |
| Molecular Formula | C8H2ClF5O2 |
| Molecular Weight | 260.5453 |
| SMILES | ClCC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F |
| Synonyms | pentafluorophenyl 2-chloroacetate,
240487-99-4,
VVKNQIGLUQLDPD-UHFFFAOYSA-N,
ZINC100634996,
NE16536,
Chloroacetic acid, pentafluorophenyl ester,
2,3,4,5,6-pentafluorophenyl 2-chloroacetate,
EN300-79695,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.544g/mol |
| Monoisotopic Mass | 259.966g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number