| CAS Number | 1805549-52-3 |
| Catalog Number | AG01DYZF |
| Chemical Name | METHYL 4-BROMO-2-FLUORO-6-NITROBENZOATE |
| IUPAC Name | methyl 4-bromo-2-fluoro-6-nitrobenzoate |
| InChI | InChI=1S/C8H5BrFNO4/c1-15-8(12)7-5(10)2-4(9)3-6(7)11(13)14/h2-3H,1H3 |
| InChI Key | YFFIRDOCGWUIAR-UHFFFAOYSA-N |
| MDL Number | MFCD28740031 |
| Molecular Formula | C8H5BrFNO4 |
| Molecular Weight | 278.032 |
| SMILES | COC(C1=C([N+]([O-])=O)C=C(Br)C=C1F)=O |
| Synonyms | Methyl 4-bromo-2-fluoro-6-nitrobenzoate,
1805549-52-3,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.939g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.033g/mol |
| Monoisotopic Mass | 276.939g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number