| CAS Number | 143703-25-7 |
| Catalog Number | AG01E23X(AGN-PC-0PUG47) |
| Chemical Name | CE3F4 |
| IUPAC Name | 5,7-dibromo-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbaldehyde |
| InChI | InChI=1S/C11H10Br2FNO/c1-6-2-3-7-9(15(6)5-16)4-8(12)11(14)10(7)13/h4-6H,2-3H2,1H3 |
| InChI Key | ZZLQPWXVZCPUGC-UHFFFAOYSA-N |
| MDL Number | MFCD30182244 |
| Molecular Formula | C11H10Br2FNO |
| Molecular Weight | 351.0096 |
| SMILES | O=C([H])N1C(C)CCC2=C(Br)C(F)=C(Br)C=C21 |
| Synonyms | CE3F4,
143703-25-7,
SCHEMBL17070839,
AOB6234,
BCP26262,
AKOS025142022,
AS-16940,
HY-108539,
CS-0029107,
5,7-dibromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-1-carbaldehyde,
5,7-Dibromo-6-fluoro-3,4-dihydro-2-methyl-1(2H)-quinolinecarboxaldehyde,
B4927,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 350.909g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.013g/mol |
| Monoisotopic Mass | 348.911g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number