| CAS Number | 1257535-01-5 |
| Catalog Number | AG00HIGL |
| Chemical Name | 2-Bromo-1-fluoro-3-methoxy-4-nitrobenzene |
| IUPAC Name | 2-bromo-1-fluoro-3-methoxy-4-nitrobenzene |
| InChI | InChI=1S/C7H5BrFNO3/c1-13-7-5(10(11)12)3-2-4(9)6(7)8/h2-3H,1H3 |
| InChI Key | UGXYTBDCDVUTBV-UHFFFAOYSA-N |
| MDL Number | MFCD18071062 |
| Molecular Formula | C7H5BrFNO3 |
| Molecular Weight | 250.0219 |
| SMILES | COc1c(ccc(c1Br)F)N(=O)=O |
| Synonyms | 2-Bromo-3-fluoro-6-nitroanisole,
1257535-01-5,
2-Bromo-1-fluoro-3-methoxy-4-nitrobenzene,
ZX-AP002802,
MFCD18071062,
ZINC71790051,
FCH1362868,
PC49006,
3-Bromo-4-fluoro-2-methoxynitrobenzene,
PS-10540,
|
| 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