| CAS Number | 1780187-45-2 |
| Catalog Number | AG01FHD3(AGN-PC-3H5ENF) |
| Chemical Name | 4-Bromo-5-fluoro-2-methoxybenzoic acid |
| IUPAC Name | 4-bromo-5-fluoro-2-methoxybenzoic acid |
| InChI | InChI=1S/C8H6BrFO3/c1-13-7-3-5(9)6(10)2-4(7)8(11)12/h2-3H,1H3,(H,11,12) |
| InChI Key | BCNABXVPXFZMFO-UHFFFAOYSA-N |
| MDL Number | MFCD25459672 |
| Molecular Formula | C8H6BrFO3 |
| Molecular Weight | 249.0338 |
| SMILES | BrC1=CC(=C(C(=O)O)C=C1F)OC |
| Synonyms | 4-Bromo-5-fluoro-2-methoxybenzoic acid,
1780187-45-2,
SCHEMBL19667102,
MFCD25459672,
AKOS023651772,
ZINC214488788,
FCH2377244,
PC502009,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.035g/mol |
| Monoisotopic Mass | 247.948g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number