| CAS Number | 1610060-53-1 |
| Catalog Number | AG01FR0P(AGN-PC-3H5PCC) |
| Chemical Name | METHYL 2-BROMO-6-FLUORO-3-NITROBENZOATE |
| IUPAC Name | methyl 2-bromo-6-fluoro-3-nitrobenzoate |
| InChI | InChI=1S/C8H5BrFNO4/c1-15-8(12)6-4(10)2-3-5(7(6)9)11(13)14/h2-3H,1H3 |
| InChI Key | GGAVFWPLPCMZBC-UHFFFAOYSA-N |
| MDL Number | MFCD22570414 |
| Molecular Formula | C8H5BrFNO4 |
| Molecular Weight | 278.0320 |
| SMILES | O=C(OC)C1=C(F)C=CC([N+]([O-])=O)=C1Br |
| Synonyms | Methyl 2-bromo-6-fluoro-3-nitrobenzoate,
1610060-53-1,
SCHEMBL15727851,
N/A,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.9386g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.03g/mol |
| Monoisotopic Mass | 276.9386g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number