| CAS Number | 773869-44-6 |
| Catalog Number | AG019TXM |
| Chemical Name | 5-Chloro-2-(difluoromethoxy)benzoic acid |
| IUPAC Name | 5-chloro-2-(difluoromethoxy)benzoic acid |
| InChI | InChI=1S/C8H5ClF2O3/c9-4-1-2-6(14-8(10)11)5(3-4)7(12)13/h1-3,8H,(H,12,13) |
| InChI Key | AYTCUQGQENXYEG-UHFFFAOYSA-N |
| MDL Number | MFCD06203213 |
| Molecular Formula | C8H5ClF2O3 |
| Molecular Weight | 222.5733 |
| SMILES | OC(C1=C(OC(F)F)C=CC(Cl)=C1)=O |
| Synonyms | 5-chloro-2-(difluoromethoxy)benzoic acid,
773869-44-6,
SCHEMBL3388103,
ZINC36894996,
AKOS009310194,
MCULE-5258265042,
NE26738,
Z1333761454,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.572g/mol |
| Monoisotopic Mass | 221.99g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number