| CAS Number | 1593478-56-8 |
| Catalog Number | AG01ENIO(AGN-PC-3H45MK) |
| Chemical Name | (R)-5,7-Dibromo-6-fluoro-2-methyl-3,4-dihydroquinoline-1(2H)-carbaldehyde |
| IUPAC Name | (2R)-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/t6-/m1/s1 |
| InChI Key | ZZLQPWXVZCPUGC-ZCFIWIBFSA-N |
| MDL Number | MFCD31579856 |
| Molecular Formula | C11H10Br2FNO |
| Molecular Weight | 351.0096 |
| SMILES | C(=O)N1C=2C(=C(Br)C(F)=C(Br)C2)CC[C@H]1C |
| Synonyms | (R)-CE3F4,
1593478-56-8,
(2R)-5,7-Dibromo-6-fluoro-3,4-dihydro-2-methyl-1(2H)-quinolinecarboxaldehyde,
SCHEMBL17070843,
AKOS034831574,
ZINC167086860,
(R)-5,7-Dibromo-6-fluoro-2-methyl-3,4-dihydroquinoline-1(2H)-carbaldehyde,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number