| CAS Number | 1214367-17-5 |
| Catalog Number | AG01AJIV |
| Chemical Name | 4-(Difluoromethoxy)-2,6-difluorobenzoic acid |
| IUPAC Name | 4-(difluoromethoxy)-2,6-difluorobenzoic acid |
| InChI | InChI=1S/C8H4F4O3/c9-4-1-3(15-8(11)12)2-5(10)6(4)7(13)14/h1-2,8H,(H,13,14) |
| InChI Key | UYFODXZGBHYHBR-UHFFFAOYSA-N |
| MDL Number | MFCD14698425 |
| Molecular Formula | C8H4F4O3 |
| Molecular Weight | 224.1092 |
| SMILES | FC(OC1=CC(=C(C(=O)O)C(=C1)F)F)F |
| Synonyms | 4-(difluoromethoxy)-2,6-difluorobenzoic acid,
1214367-17-5,
SCHEMBL20639114,
ZINC47203227,
AKOS033199783,
MCULE-8822397233,
NE50607,
2,6-Difluoro-4-(difluoromethoxy)benzoic acid,
EN300-80875,
Z1259341103,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.111g/mol |
| Monoisotopic Mass | 224.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number