| CAS Number | 1805593-21-8 |
| Catalog Number | AG01FHD5(AGN-PC-3H4AO1) |
| Chemical Name | 3-Bromo-5-fluoro-2-nitroanisole |
| IUPAC Name | 1-bromo-5-fluoro-3-methoxy-2-nitrobenzene |
| InChI | InChI=1S/C7H5BrFNO3/c1-13-6-3-4(9)2-5(8)7(6)10(11)12/h2-3H,1H3 |
| InChI Key | RPVCARQWIGLGSL-UHFFFAOYSA-N |
| MDL Number | MFCD28739839 |
| Molecular Formula | C7H5BrFNO3 |
| Molecular Weight | 250.0219 |
| SMILES | BrC=1C(=C(C=C(C1)F)OC)[N+](=O)[O-] |
| Synonyms | 3-Bromo-5-fluoro-2-nitroanisole,
1805593-21-8,
MFCD28739839,
ZINC259431655,
FCH4129628,
PC502008,
PS-10544,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.023g/mol |
| Monoisotopic Mass | 248.944g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number