| CAS Number | 1214383-15-9 |
| Catalog Number | AG01AMX0 |
| Chemical Name | 4-Difluoromethoxy-3-fluorobenzoic acid |
| IUPAC Name | 4-(difluoromethoxy)-3-fluorobenzoic acid |
| InChI | InChI=1S/C8H5F3O3/c9-5-3-4(7(12)13)1-2-6(5)14-8(10)11/h1-3,8H,(H,12,13) |
| InChI Key | BDTNUJKTIBXNOC-UHFFFAOYSA-N |
| MDL Number | MFCD14698507 |
| Molecular Formula | C8H5F3O3 |
| Molecular Weight | 206.1187 |
| SMILES | FC(OC1=C(C=C(C(=O)O)C=C1)F)F |
| Synonyms | 1214383-15-9,
4-difluoromethoxy-3-fluorobenzoic acid,
4-(difluoromethoxy)-3-fluorobenzoic acid,
SCHEMBL20042919,
ZINC47203367,
AKOS027270275,
Z2217033031,
3-(difluoromethoxy)-4-fluorobenzoic acid,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.12g/mol |
| Monoisotopic Mass | 206.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number