| CAS Number | 1270981-57-1 |
| Catalog Number | AG01C52Y |
| Chemical Name | 4-(Difluoromethyl)-2-fluorobenzoic acid |
| IUPAC Name | 4-(difluoromethyl)-2-fluorobenzoic acid |
| InChI | InChI=1S/C8H5F3O2/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,7H,(H,12,13) |
| InChI Key | LGLMIWMIGJDPNZ-UHFFFAOYSA-N |
| MDL Number | MFCD20661042 |
| Molecular Formula | C8H5F3O2 |
| Molecular Weight | 190.1193 |
| SMILES | c1c(cc(c(c1)C(=O)O)F)C(F)F |
| Synonyms | 4-(difluoromethyl)-2-fluorobenzoic acid,
1270981-57-1,
SCHEMBL1498847,
LGLMIWMIGJDPNZ-UHFFFAOYSA-N,
AKOS024065220,
ZINC116357572,
Z2469606458,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.121g/mol |
| Monoisotopic Mass | 190.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number