| CAS Number | 1175900-46-5 |
| Catalog Number | AG008SV9(AGN-PC-0WC4G6) |
| Chemical Name | 1-(5-Bromopyridin-2-yl)azepane |
| IUPAC Name | 1-(5-bromopyridin-2-yl)azepane |
| InChI | InChI=1S/C11H15BrN2/c12-10-5-6-11(13-9-10)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2 |
| InChI Key | MTYJNKMYXIMVFL-UHFFFAOYSA-N |
| MDL Number | MFCD11923073 |
| Molecular Formula | C11H15BrN2 |
| Molecular Weight | 255.1542 |
| SMILES | Brc1ccc(nc1)N1CCCCCC1 |
| Synonyms | 1-(5-Bromopyridin-2-yl)azepane,
1175900-46-5,
1-(5-BROMO-2-PYRIDINYL)AZEPANE,
ACMC-2099un,
CTK5I7766,
DTXSID80653775,
ANW-17037,
MFCD11923073,
ZINC32108449,
AKOS010633509,
AJ-84729,
CJ-17874,
TR-068979,
Z7843,
B-6522,
I14-24960,
C11H15BrN2,
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.159g/mol |
| Monoisotopic Mass | 254.042g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 16.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number