| CAS Number | 408340-39-6 |
| Catalog Number | AG01EVUP(AGN-PC-3H481O) |
| Chemical Name | 2,5-Dibromo-1-methyl-3-nitrobenzene |
| IUPAC Name | 2,5-dibromo-1-methyl-3-nitrobenzene |
| InChI | InChI=1S/C7H5Br2NO2/c1-4-2-5(8)3-6(7(4)9)10(11)12/h2-3H,1H3 |
| InChI Key | NQAFPSSLVAEYCQ-UHFFFAOYSA-N |
| MDL Number | MFCD11846032 |
| Molecular Formula | C7H5Br2NO2 |
| Molecular Weight | 294.9281 |
| SMILES | c1c(cc(c(c1[N+](=O)[O-])Br)C)Br |
| Synonyms | 2,5-Dibromo-3-nitrotoluene,
408340-39-6,
2,5-dibromo-1-methyl-3-nitrobenzene,
MFCD11846032,
ZINC36532879,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.867g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.93g/mol |
| Monoisotopic Mass | 292.869g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number