| CAS Number | 1262399-75-6 |
| Catalog Number | AG00HRF9(AGN-PC-0WRA3Y) |
| Chemical Name | 4-(4-Bromophenyl)-1-methanesulfonyl-3,6-dihydro-2H-pyridine |
| IUPAC Name | 4-(4-bromophenyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine |
| InChI | InChI=1S/C12H14BrNO2S/c1-17(15,16)14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-6H,7-9H2,1H3 |
| InChI Key | ZODYQQGJUCFJAK-UHFFFAOYSA-N |
| MDL Number | MFCD30527662 |
| Molecular Formula | C12H14BrNO2S |
| Molecular Weight | 316.2141 |
| SMILES | Brc1ccc(cc1)C1=CCN(CC1)S(=O)(=O)C |
| Synonyms | 4-(4-Bromophenyl)-1-methanesulfonyl-3,6-dihydro-2H-pyridine,
1262399-75-6,
SCHEMBL979744,
ZODYQQGJUCFJAK-UHFFFAOYSA-N,
4-(4-Bromo-phenyl)-1-methanesulfonyl-1,2,3,6-tetrahydro-pyridine,
|
| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.213g/mol |
| Monoisotopic Mass | 314.993g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number