| CAS Number | 1780039-50-0 |
| Catalog Number | AG003ADA(AGN-PC-0WGG2G) |
| Chemical Name | (6-Bromobenzo[b]thiophen-2-yl)methanamine |
| IUPAC Name | (6-bromo-1-benzothiophen-2-yl)methanamine |
| InChI | InChI=1S/C9H8BrNS/c10-7-2-1-6-3-8(5-11)12-9(6)4-7/h1-4H,5,11H2 |
| InChI Key | LFZULRRWARPPKY-UHFFFAOYSA-N |
| MDL Number | MFCD28580997 |
| Molecular Formula | C9H8BrNS |
| Molecular Weight | 242.1355 |
| SMILES | NCc1cc2ccc(Br)cc2s1 |
| Synonyms | (6-Bromobenzo[b]thiophen-2-yl)methanamine,
1780039-50-0,
SCHEMBL17080670,
ZINC96877801,
FCH3791848,
AX8300341,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.134g/mol |
| Monoisotopic Mass | 240.956g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number