| CAS Number | 2138164-58-4 |
| Catalog Number | AG01ELFN |
| Chemical Name | 3,6-Difluoro-2-formylbenzoic acid |
| IUPAC Name | 3,6-difluoro-2-formylbenzoic acid |
| InChI | InChI=1S/C8H4F2O3/c9-5-1-2-6(10)7(8(12)13)4(5)3-11/h1-3H,(H,12,13) |
| InChI Key | RBLPZDFPVHBWMK-UHFFFAOYSA-N |
| MDL Number | MFCD31448762 |
| Molecular Formula | C8H4F2O3 |
| Molecular Weight | 186.1124 |
| SMILES | FC=1C(=C(C(=O)O)C(=CC1)F)C=O |
| Synonyms | 3,6-difluoro-2-formylbenzoic acid,
2138164-58-4,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.114g/mol |
| Monoisotopic Mass | 186.013g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number