| CAS Number | 1092461-22-7 |
| Catalog Number | AG00HBDQ(AGN-PC-0WCJTO) |
| Chemical Name | 5-Chloro-2-(trifluoromethoxy)cinnamic acid |
| IUPAC Name | 3-[5-chloro-2-(trifluoromethoxy)phenyl]prop-2-enoic acid |
| InChI | InChI=1S/C10H6ClF3O3/c11-7-2-3-8(17-10(12,13)14)6(5-7)1-4-9(15)16/h1-5H,(H,15,16) |
| InChI Key | AGCYIVNNYXJUKM-UHFFFAOYSA-N |
| MDL Number | MFCD11519361 |
| Molecular Formula | C10H6ClF3O3 |
| Molecular Weight | 266.6010 |
| SMILES | OC(=O)C=CC1=C(OC(F)(F)F)C=CC(Cl)=C1 |
| Synonyms | 3-(5-Chloro-2-(trifluoromethoxy)phenyl)acrylic acid,
1092461-22-7,
CTK7I5507,
AKOS030233227,
5-CHLORO-2-(TRIFLUOROMETHOXY)CINNAMIC ACID,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.6g/mol |
| Monoisotopic Mass | 265.996g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number