| CAS Number | 1346608-65-8 |
| Catalog Number | AG01BJA0 |
| Chemical Name | 2-Fluoro-3-isopropoxybenzoic acid |
| IUPAC Name | 2-fluoro-3-propan-2-yloxybenzoic acid |
| InChI | InChI=1S/C10H11FO3/c1-6(2)14-8-5-3-4-7(9(8)11)10(12)13/h3-6H,1-2H3,(H,12,13) |
| InChI Key | ADISUGFAMDFUHD-UHFFFAOYSA-N |
| MDL Number | MFCD28356761 |
| Molecular Formula | C10H11FO3 |
| Molecular Weight | 198.1909 |
| SMILES | c1(cccc(c1F)C(=O)O)OC(C)C |
| Synonyms | 2-Fluoro-3-isopropoxybenzoic acid,
1346608-65-8,
SCHEMBL17908073,
MFCD28356761,
AKOS027425452,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.193g/mol |
| Monoisotopic Mass | 198.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number