| CAS Number | 106874-91-3 |
| Catalog Number | AG0093MC(AGN-PC-02YSZH) |
| Chemical Name | 5-Bromo-2-methylamino-benzonitrile |
| IUPAC Name | 5-bromo-2-(methylamino)benzonitrile |
| InChI | InChI=1S/C8H7BrN2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4,11H,1H3 |
| InChI Key | SNCBXJLGIWYANH-UHFFFAOYSA-N |
| MDL Number | MFCD24231190 |
| Molecular Formula | C8H7BrN2 |
| Molecular Weight | 211.0586 |
| SMILES | CNC1=C(C#N)C=C(Br)C=C1 |
| Synonyms | 5-Bromo-2-methylamino-benzonitrile,
106874-91-3,
5-Bromo-2-(methylamino)benzonitrile,
SCHEMBL13174924,
Z-8537,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.062g/mol |
| Monoisotopic Mass | 209.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number