| CAS Number | 1780810-87-8 |
| Catalog Number | AG01BVQ1 |
| Chemical Name | 3-(Difluoromethyl)-2-fluorobenzoic Acid |
| IUPAC Name | 3-(difluoromethyl)-2-fluorobenzoic acid |
| InChI | InChI=1S/C8H5F3O2/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,7H,(H,12,13) |
| InChI Key | QIOFVWYBCHQZKA-UHFFFAOYSA-N |
| MDL Number | MFCD28522916 |
| Molecular Formula | C8H5F3O2 |
| Molecular Weight | 190.1193 |
| SMILES | OC(C1=C(F)C(C(F)F)=CC=C1)=O |
| Synonyms | 1780810-87-8,
SCHEMBL6045016,
AKOS024065222,
ZINC145584507,
3-(difluoromethyl)-2-fluorobenzoic acid,
|
| 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 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number