| CAS Number | 1214379-50-6 |
| Catalog Number | AG00A02Z(AGN-PC-0WNNV6) |
| Chemical Name | 3-(Difluoromethoxy)-2,6-difluorobenzoic acid |
| IUPAC Name | 3-(difluoromethoxy)-2,6-difluorobenzoic acid |
| InChI | InChI=1S/C8H4F4O3/c9-3-1-2-4(15-8(11)12)6(10)5(3)7(13)14/h1-2,8H,(H,13,14) |
| InChI Key | RCXSQVVWMWIXDL-UHFFFAOYSA-N |
| MDL Number | MFCD14698424 |
| Molecular Formula | C8H4F4O3 |
| Molecular Weight | 224.1092 |
| SMILES | FC(OC=1C(=C(C(=O)O)C(=CC1)F)F)F |
| Synonyms | 3-(difluoromethoxy)-2,6-difluorobenzoic acid,
1214379-50-6,
2,6-difluoro-3-(difluoromethoxy)benzoic acid,
CTK8E3561,
MFCD14698424,
ZINC47203225,
AKOS027254010,
MCULE-2320767243,
NE44344,
AS-41036,
TX-016210,
3-(difluoromethoxy)-2,6-difluorobenzoic acid, 95% - 1G 1g,
|
| Complexity | 236 |
| 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