| CAS Number | 1427327-66-9 |
| Catalog Number | AG01DM7X |
| Chemical Name | 2-Bromo-6-Fluoro-4-Methylbenzoic Acid |
| IUPAC Name | 2-bromo-6-fluoro-4-methylbenzoic acid |
| InChI | InChI=1S/C8H6BrFO2/c1-4-2-5(9)7(8(11)12)6(10)3-4/h2-3H,1H3,(H,11,12) |
| InChI Key | RYGYAJDEBNPLCW-UHFFFAOYSA-N |
| MDL Number | MFCD23712068 |
| Molecular Formula | C8H6BrFO2 |
| Molecular Weight | 233.0344 |
| SMILES | O=C(O)C1=C(F)C=C(C)C=C1Br |
| Synonyms | 2-Bromo-6-fluoro-4-methylbenzoic acid,
1427327-66-9,
MFCD23712068,
AKOS027374130,
ZINC238523624,
AS-46354,
1003709-47-4,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.036g/mol |
| Monoisotopic Mass | 231.954g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number