| CAS Number | 937661-13-7 |
| Catalog Number | AG00IHU5(AGN-PC-0WQVON) |
| Chemical Name | 5-Bromo-2-methylbenzene-1,3-diamine |
| IUPAC Name | 5-bromo-2-methylbenzene-1,3-diamine |
| InChI | InChI=1S/C7H9BrN2/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,9-10H2,1H3 |
| InChI Key | VSVMIOZBSVJKEC-UHFFFAOYSA-N |
| MDL Number | MFCD09036302 |
| Molecular Formula | C7H9BrN2 |
| Molecular Weight | 201.0638 |
| SMILES | Cc1c(N)cc(Br)cc1N |
| Synonyms | 5-bromo-2-methylbenzene-1,3-diamine,
937661-13-7,
SCHEMBL3678341,
MFCD09036302,
AKOS004121625,
ZINC113686710,
FCH1390678,
TZ000803,
CS-0036902,
|
| Complexity | 106 |
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number