| CAS Number | 1449008-25-6 |
| Catalog Number | AG01DYS8 |
| Chemical Name | 3-Bromo-2-fluoro-6-methoxybenzoic acid |
| IUPAC Name | 3-bromo-2-fluoro-6-methoxybenzoic acid |
| InChI | InChI=1S/C8H6BrFO3/c1-13-5-3-2-4(9)7(10)6(5)8(11)12/h2-3H,1H3,(H,11,12) |
| InChI Key | WVIPJDXUWXKCBU-UHFFFAOYSA-N |
| MDL Number | MFCD24848707 |
| Molecular Formula | C8H6BrFO3 |
| Molecular Weight | 249.0338 |
| SMILES | COC1=C(C(=C(C=C1)Br)F)C(=O)O |
| Synonyms | 3-Bromo-2-fluoro-6-methoxybenzoic acid,
1449008-25-6,
MFCD24848707,
ZINC75914862,
AKOS023125782,
Z1401,
Q-8161,
C8H6BrFO3,
|
| 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