| CAS Number | 73557-64-9 |
| Catalog Number | AG00JJLT(AGN-PC-0JU7CU) |
| Chemical Name | 1,2-Dibromo-3-methyl-5-nitrobenzene |
| IUPAC Name | 1,2-dibromo-3-methyl-5-nitrobenzene |
| InChI | InChI=1S/C7H5Br2NO2/c1-4-2-5(10(11)12)3-6(8)7(4)9/h2-3H,1H3 |
| InChI Key | UBMOZBCSMJIDTD-UHFFFAOYSA-N |
| MDL Number | MFCD11846021 |
| Molecular Formula | C7H5Br2NO2 |
| Molecular Weight | 294.9281 |
| SMILES | [N+](=O)([O-])C1=CC(Br)=C(Br)C(C)=C1 |
| Synonyms | 2,3-Dibromo-5-nitrotoluene,
1,2-dibromo-3-methyl-5-nitrobenzene,
73557-64-9,
AC1LD12U,
BBL035046,
STL426708,
ZINC32299599,
AKOS025261077,
benzene, 1,2-dibromo-3-methyl-5-nitro-,
InChI=1/C7H5Br2NO2/c1-4-2-5(10(11)12)3-6(8)7(4)9/h2-3H,1H,
CID640610,
|
| 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