| CAS Number | 1248092-75-2 |
| Catalog Number | AG00HHSS(AGN-PC-0WNOLU) |
| Chemical Name | 2-bromo-1-N-methylbenzene-1,4-diamine |
| IUPAC Name | 2-bromo-1-N-methylbenzene-1,4-diamine |
| InChI | InChI=1S/C7H9BrN2/c1-10-7-3-2-5(9)4-6(7)8/h2-4,10H,9H2,1H3 |
| InChI Key | JAOXYXBFSONQAX-UHFFFAOYSA-N |
| MDL Number | MFCD16085328 |
| Molecular Formula | C7H9BrN2 |
| Molecular Weight | 201.0638 |
| SMILES | CNC1=C(Br)C=C(N)C=C1 |
| Synonyms | 2-bromo-1-N-methylbenzene-1,4-diamine,
1248092-75-2,
SCHEMBL20375032,
MFCD16085328,
ZINC43596557,
AKOS010987385,
2-bromo-N1-methylbenzene-1,4-diamine,
NE21399,
EN300-91613,
|
| Complexity | 108 |
| 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 | 1 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number