| CAS Number | 91659-19-7 |
| Catalog Number | AG00IUWD(AGN-PC-0H0HC5) |
| Chemical Name | 2-Bromo-4-fluoro-5-hydroxybenzoic acid |
| IUPAC Name | 2-bromo-4-fluoro-5-hydroxybenzoic acid |
| InChI | InChI=1S/C7H4BrFO3/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2,10H,(H,11,12) |
| InChI Key | NRRQMEMDKNSMOV-UHFFFAOYSA-N |
| MDL Number | MFCD21333206 |
| Molecular Formula | C7H4BrFO3 |
| Molecular Weight | 235.0073 |
| SMILES | [Br]C1(=C(C(=O)O)C=C(O)C(=C1)F) |
| Synonyms | 2-bromo-4-fluoro-5-hydroxybenzoic acid,
91659-19-7,
bromofluorohydroxybenzoicacid,
KS-000027JA,
ZX-RL003524,
MFCD21333206,
ZINC72137447,
AKOS015991527,
FCH1609399,
LF-0096,
MCULE-5794102671,
RP13487,
PC200314,
|
| 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