| CAS Number | 717881-00-0 |
| Catalog Number | AG01BBGI |
| Chemical Name | 4-Bromo-3,6-dimethyl-2-nitroaniline |
| IUPAC Name | 4-bromo-3,6-dimethyl-2-nitroaniline |
| InChI | InChI=1S/C8H9BrN2O2/c1-4-3-6(9)5(2)8(7(4)10)11(12)13/h3H,10H2,1-2H3 |
| InChI Key | PLSQIZWWMYJLCK-UHFFFAOYSA-N |
| MDL Number | MFCD01851366 |
| Molecular Formula | C8H9BrN2O2 |
| Molecular Weight | 245.0733 |
| SMILES | CC1=C(N)C([N+]([O-])=O)=C(C)C(Br)=C1 |
| Synonyms | 4-bromo-3,6-dimethyl-2-nitroaniline,
717881-00-0,
ZINC5587439,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.076g/mol |
| Monoisotopic Mass | 243.985g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number