| CAS Number | 1431329-81-5 |
| Catalog Number | AG00VRQS(AGN-PC-0WAOYN) |
| Chemical Name | 6-Ethoxy-2,3-difluorobenzoic acid |
| IUPAC Name | 6-ethoxy-2,3-difluorobenzoic acid |
| InChI | InChI=1S/C9H8F2O3/c1-2-14-6-4-3-5(10)8(11)7(6)9(12)13/h3-4H,2H2,1H3,(H,12,13) |
| InChI Key | LKUXFZWPJFDQGP-UHFFFAOYSA-N |
| MDL Number | MFCD23795338 |
| Molecular Formula | C9H8F2O3 |
| Molecular Weight | 202.1548 |
| SMILES | c1(c(ccc(c1C(=O)O)OCC)F)F |
| Synonyms | 6-Ethoxy-2,3-difluorobenzoic acid,
1431329-81-5,
MFCD23795338,
ZINC96029428,
JS-5119,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.157g/mol |
| Monoisotopic Mass | 202.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number