| CAS Number | 66370-79-4 |
| Catalog Number | AG01E4ZN(AGN-PC-037NO0) |
| Chemical Name | Diclofenac isopropyl ester |
| IUPAC Name | propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate |
| InChI | InChI=1S/C17H17Cl2NO2/c1-11(2)22-16(21)10-12-6-3-4-9-15(12)20-17-13(18)7-5-8-14(17)19/h3-9,11,20H,10H2,1-2H3 |
| InChI Key | QMHUQACYEOZUBF-UHFFFAOYSA-N |
| MDL Number | MFCD25372127 |
| Molecular Formula | C17H17Cl2NO2 |
| Molecular Weight | 338.2284 |
| SMILES | CC(C)OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl |
| Synonyms | Diclofenac isopropyl ester,
66370-79-4,
DiclofenacIsopropylEster,
Isopropyl Ester of Diclofenac,
SCHEMBL2739298,
ZX-AV000034,
ZINC91689938,
AKOS030255633,
o-(2,6-Dichloroanilino)phenylacetic acid isopropyl ester,
propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate,
Isopropyl 2-(2-((2,6-Dichlorophenyl)amino)phenyl)acetate,
Isopropyl [2-[(2,6-Dichlorophenyl)amino]phenyl]acetate (Isopropyl Ester of Diclofenac),
|
| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.228g/mol |
| Monoisotopic Mass | 337.064g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number