| CAS Number | 199186-78-2 |
| Catalog Number | AG01BTO7(AGN-PC-01YY7A) |
| Chemical Name | 6-Bromo-2,2-dimethyl-1,2,3,4-tetrahydroquinoline |
| IUPAC Name | 6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline |
| InChI | InChI=1S/C11H14BrN/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11/h3-4,7,13H,5-6H2,1-2H3 |
| InChI Key | TVQLUTMFPJMIOS-UHFFFAOYSA-N |
| MDL Number | MFCD28641056 |
| Molecular Formula | C11H14BrN |
| Molecular Weight | 240.1396 |
| SMILES | BrC=1C=C2CCC(NC2=CC1)(C)C |
| Synonyms | 6-bromo-2,2-dimethyl-1,2,3,4-tetrahydroquinoline,
199186-78-2,
SCHEMBL5328438,
ZINC59650012,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.144g/mol |
| Monoisotopic Mass | 239.031g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number