| CAS Number | 1235440-09-1 |
| Catalog Number | AG009VGJ(AGN-PC-0WOCS8) |
| Chemical Name | 6-Bromo-7-Fluoro-1,2,3,4-Tetrahydroquinoline |
| IUPAC Name | 6-bromo-7-fluoro-1,2,3,4-tetrahydroquinoline |
| InChI | InChI=1S/C9H9BrFN/c10-7-4-6-2-1-3-12-9(6)5-8(7)11/h4-5,12H,1-3H2 |
| InChI Key | LFAMFIYRRFZFHT-UHFFFAOYSA-N |
| MDL Number | MFCD16040182 |
| Molecular Formula | C9H9BrFN |
| Molecular Weight | 230.0769 |
| SMILES | BrC=1C=C2CCCNC2=CC1F |
| Synonyms | 6-bromo-7-fluoro-1,2,3,4-tetrahydroquinoline,
1235440-09-1,
C9H9BrFN,
AC1Q4KYW,
6-Bromo-7-fluoro-1,2,3,4-tetrahydro-quinoline,
SCHEMBL20563792,
ZINC47845039,
AKOS015891564,
AJ-110883,
X2134,
EN300-89373,
I01-9937,
Z991556976,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.08g/mol |
| Monoisotopic Mass | 228.99g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number