| CAS Number | 1240526-05-9 |
| Catalog Number | AG01A8X1(AGN-PC-0WO5MI) |
| Chemical Name | 7-Methanesulfonyl-1,2,3,4-tetrahydroquinoline |
| IUPAC Name | 7-methylsulfonyl-1,2,3,4-tetrahydroquinoline |
| InChI | InChI=1S/C10H13NO2S/c1-14(12,13)9-5-4-8-3-2-6-11-10(8)7-9/h4-5,7,11H,2-3,6H2,1H3 |
| InChI Key | JIRLKZNBXVTGIF-UHFFFAOYSA-N |
| MDL Number | MFCD16547575 |
| Molecular Formula | C10H13NO2S |
| Molecular Weight | 211.2807 |
| SMILES | CS(=O)(=O)C1=CC=C2CCCNC2=C1 |
| Synonyms | 7-methanesulfonyl-1,2,3,4-tetrahydroquinoline,
1240526-05-9,
AC1Q4GKF,
SCHEMBL17785623,
JIRLKZNBXVTGIF-UHFFFAOYSA-N,
ZINC47844121,
AKOS026727934,
MCULE-2658365149,
NE57317,
EN300-62807,
7-(methylsulfonyl)-1,2,3,4-tetrahydroquinoline,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.279g/mol |
| Monoisotopic Mass | 211.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number