| CAS Number | 1401817-62-6 |
| Catalog Number | AG01ELLF |
| Chemical Name | 3-Bromo-5-fluoro-N-methyl-2-nitroaniline |
| IUPAC Name | 3-bromo-5-fluoro-N-methyl-2-nitroaniline |
| InChI | InChI=1S/C7H6BrFN2O2/c1-10-6-3-4(9)2-5(8)7(6)11(12)13/h2-3,10H,1H3 |
| InChI Key | BNPRPWDFMAGZOO-UHFFFAOYSA-N |
| MDL Number | MFCD31613610 |
| Molecular Formula | C7H6BrFN2O2 |
| Molecular Weight | 249.0371 |
| SMILES | CNC1=C([N+]([O-])=O)C(Br)=CC(F)=C1 |
| Synonyms | SCHEMBL18408922,
3-bromo-5-fluoro-N-methyl-2-nitroaniline,
1401817-62-6,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.039g/mol |
| Monoisotopic Mass | 247.96g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number