| CAS Number | 1160573-48-7 |
| Catalog Number | AG01EQTM(AGN-PC-3H47BI) |
| Chemical Name | 1-bromo-4-chloro-3-methyl-2-nitrobenzene |
| IUPAC Name | 1-bromo-4-chloro-3-methyl-2-nitrobenzene |
| InChI | InChI=1S/C7H5BrClNO2/c1-4-6(9)3-2-5(8)7(4)10(11)12/h2-3H,1H3 |
| InChI Key | RDBOWXCEEGEMBL-UHFFFAOYSA-N |
| MDL Number | MFCD11846014 |
| Molecular Formula | C7H5BrClNO2 |
| Molecular Weight | 250.4771 |
| SMILES | BrC1=C(C(=C(C=C1)Cl)C)[N+](=O)[O-] |
| Synonyms | 3-Bromo-6-chloro-2-nitrotoluene,
1160573-48-7,
1-bromo-4-chloro-3-methyl-2-nitrobenzene,
ZINC36532852,
AKOS026671498,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.476g/mol |
| Monoisotopic Mass | 248.919g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number