| CAS Number | 124244-65-1 |
| Catalog Number | AG009FXU(AGN-PC-0WAOYQ) |
| Chemical Name | 2-Bromo-3,6-difluorobenzoic acid |
| IUPAC Name | 2-bromo-3,6-difluorobenzoic acid |
| InChI | InChI=1S/C7H3BrF2O2/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2H,(H,11,12) |
| InChI Key | ZLBFRHCWALNQIJ-UHFFFAOYSA-N |
| MDL Number | MFCD11849930 |
| Molecular Formula | C7H3BrF2O2 |
| Molecular Weight | 236.9983 |
| SMILES | C1=CC(=C(C(=C1F)C(=O)O)Br)F |
| Synonyms | 2-Bromo-3,6-difluorobenzoic acid,
124244-65-1,
SCHEMBL17007116,
2-Bromo-3,6-fluorobenzoic acid,
CTK7B9590,
ZLBFRHCWALNQIJ-UHFFFAOYSA-N,
MFCD11849930,
ZINC40571919,
AKOS022177187,
CM12475,
JS-5122,
AJ-103724,
Z1779,
C7H3BrF2O2,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.928g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237g/mol |
| Monoisotopic Mass | 235.928g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number