| CAS Number | 4180-42-1 |
| Catalog Number | AG01B1A4 |
| Chemical Name | 3-bromo-5-fluoro-2-hydroxybenzoic acid |
| IUPAC Name | 3-bromo-5-fluoro-2-hydroxybenzoic acid |
| InChI | InChI=1S/C7H4BrFO3/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2,10H,(H,11,12) |
| InChI Key | MJNQXLZBKUYDRP-UHFFFAOYSA-N |
| MDL Number | MFCD11203628 |
| Molecular Formula | C7H4BrFO3 |
| Molecular Weight | 235.0073 |
| SMILES | C1=C(C=C(C(=C1Br)O)C(=O)O)F |
| Synonyms | 3-bromo-5-fluoro-2-hydroxybenzoic acid,
4180-42-1,
ZINC20593705,
AKOS009279481,
MCULE-4469660021,
NE40920,
Z1801307594,
|
| 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 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number