| CAS Number | 1429421-95-3 |
| Catalog Number | AG01B6M7 |
| Chemical Name | 5-(Difluoromethyl)-2-fluorobenzoic acid |
| IUPAC Name | 5-(difluoromethyl)-2-fluorobenzoic acid |
| InChI | InChI=1S/C8H5F3O2/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,7H,(H,12,13) |
| InChI Key | YCFJDWIZTPHHRJ-UHFFFAOYSA-N |
| MDL Number | MFCD28402675 |
| Molecular Formula | C8H5F3O2 |
| Molecular Weight | 190.1193 |
| SMILES | FC(C=1C=CC(=C(C(=O)O)C1)F)F |
| Synonyms | 5-(difluoromethyl)-2-fluorobenzoic acid,
1429421-95-3,
SCHEMBL16398486,
YCFJDWIZTPHHRJ-UHFFFAOYSA-N,
AKOS024065219,
ZINC213442891,
5-(difluoromethyl)-2-fluoro-benzoic acid,
Z2630881496,
|
| 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 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number