| CAS Number | 1803582-59-3 |
| Catalog Number | AG01BESC |
| Chemical Name | 3-bromo-4-methyl-2-nitroaniline |
| IUPAC Name | 3-bromo-4-methyl-2-nitroaniline |
| InChI | InChI=1S/C7H7BrN2O2/c1-4-2-3-5(9)7(6(4)8)10(11)12/h2-3H,9H2,1H3 |
| InChI Key | BVSGAMRDRXMGAB-UHFFFAOYSA-N |
| MDL Number | MFCD28139367 |
| Molecular Formula | C7H7BrN2O2 |
| Molecular Weight | 231.0467 |
| SMILES | CC1=C(Br)C([N+]([O-])=O)=C(N)C=C1 |
| Synonyms | 3-bromo-4-methyl-2-nitroaniline,
1803582-59-3,
ZINC216635054,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.049g/mol |
| Monoisotopic Mass | 229.969g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number