| CAS Number | 1862410-77-2 |
| Catalog Number | AG01C3YL |
| Chemical Name | 8-chloro-6-fluoro-5-methyl-1,2,3,4-tetrahydroquinoline |
| IUPAC Name | 8-chloro-6-fluoro-5-methyl-1,2,3,4-tetrahydroquinoline |
| InChI | InChI=1S/C10H11ClFN/c1-6-7-3-2-4-13-10(7)8(11)5-9(6)12/h5,13H,2-4H2,1H3 |
| InChI Key | XYYDZBJOMWDEMD-UHFFFAOYSA-N |
| MDL Number | MFCD29762935 |
| Molecular Formula | C10H11ClFN |
| Molecular Weight | 199.6524 |
| SMILES | CC1=C2C(NCCC2)=C(Cl)C=C1F |
| Synonyms | 8-chloro-6-fluoro-5-methyl-1,2,3,4-tetrahydroquinoline,
1862410-77-2,
ZINC306411877,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.653g/mol |
| Monoisotopic Mass | 199.056g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number