| CAS Number | 1781774-76-2 |
| Catalog Number | AG01BS8K |
| Chemical Name | 3-bromo-5-fluoro-4-hydroxybenzoic acid |
| IUPAC Name | 3-bromo-5-fluoro-4-hydroxybenzoic acid |
| InChI | InChI=1S/C7H4BrFO3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12) |
| InChI Key | NOWZCCJKXCSYKW-UHFFFAOYSA-N |
| MDL Number | MFCD28738978 |
| Molecular Formula | C7H4BrFO3 |
| Molecular Weight | 235.0073 |
| SMILES | OC(C1=CC(Br)=C(O)C(F)=C1)=O |
| Synonyms | 3-bromo-5-fluoro-4-hydroxybenzoic acid,
1781774-76-2,
AKOS023567050,
ZINC211753720,
Z2752201093,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.933g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.008g/mol |
| Monoisotopic Mass | 233.933g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number