| CAS Number | 1214383-11-5 |
| Catalog Number | AG00AFTH |
| Chemical Name | 5-(Difluoromethoxy)-2-fluorobenzoic acid |
| IUPAC Name | 5-(difluoromethoxy)-2-fluorobenzoic acid |
| InChI | InChI=1S/C8H5F3O3/c9-6-2-1-4(14-8(10)11)3-5(6)7(12)13/h1-3,8H,(H,12,13) |
| InChI Key | OEBLBSRRDVNQSM-UHFFFAOYSA-N |
| MDL Number | MFCD09832364 |
| Molecular Formula | C8H5F3O3 |
| Molecular Weight | 206.1187 |
| SMILES | OC(C1=C(F)C=CC(OC(F)F)=C1)=O |
| Synonyms | 5-(difluoromethoxy)-2-fluorobenzoic acid,
1214383-11-5,
ZINC47203362,
5-Difluoromethoxy-2-fluorobenzoic acid,
2-(DIFLUOROMETHOXY)-5-FLUOROBENZOIC ACID,
1017779-44-0,
|
| 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