| CAS Number | 1598098-34-0 |
| Catalog Number | AG01C2RD |
| Chemical Name | 5-bromo-6,8-difluoro-1,2,3,4-tetrahydroquinoline |
| IUPAC Name | 5-bromo-6,8-difluoro-1,2,3,4-tetrahydroquinoline |
| InChI | InChI=1S/C9H8BrF2N/c10-8-5-2-1-3-13-9(5)7(12)4-6(8)11/h4,13H,1-3H2 |
| InChI Key | DLVDKNQYMLWUQQ-UHFFFAOYSA-N |
| MDL Number | MFCD29055111 |
| Molecular Formula | C9H8BrF2N |
| Molecular Weight | 248.0673 |
| SMILES | FC1=C(Br)C2=C(NCCC2)C(F)=C1 |
| Synonyms | 5-bromo-6,8-difluoro-1,2,3,4-tetrahydroquinoline,
1598098-34-0,
AKOS033859206,
ZINC228181437,
Z2301438547,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.071g/mol |
| Monoisotopic Mass | 246.981g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number