| CAS Number | 1482389-44-5 |
| Catalog Number | AG01BDQY(AGN-PC-0WOM8G) |
| Chemical Name | 3-Bromo-4-methylbenzene-1,2-diamine |
| IUPAC Name | 3-bromo-4-methylbenzene-1,2-diamine |
| InChI | InChI=1S/C7H9BrN2/c1-4-2-3-5(9)7(10)6(4)8/h2-3H,9-10H2,1H3 |
| InChI Key | CTIPXZGAKLIGTE-UHFFFAOYSA-N |
| MDL Number | MFCD29906755 |
| Molecular Formula | C7H9BrN2 |
| Molecular Weight | 201.0638 |
| SMILES | CC1=C(Br)C(N)=C(N)C=C1 |
| Synonyms | 3-bromo-4-methylbenzene-1,2-diamine,
1482389-44-5,
SCHEMBL3678346,
ZINC75601777,
AKOS022646653,
Z2418194186,
|
| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.067g/mol |
| Monoisotopic Mass | 199.995g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number